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2024-08-16T14:14:20
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[ "SIMPLE_NN_SiO2_9953" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1000071559697525269005239
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T15:05:33
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[ "SIMPLE_NN_SiO2_5724" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:14:29
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PO_8226744330032791443582299
null
null
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[ "SIMPLE_NN_SiO2_3252" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10011045976886010910315144542286527597563017164716969870152505788113009654999494406564596981761943928870710465682553540549984946776293134622262481039768135
CO_1001104597688601091031514
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:58:33
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PO_1063231698868202263862765
null
null
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[ "SIMPLE_NN_SiO2_7948" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10017105673815500980379107355906389685036015959408822624564018340112368541918178095871770558711869397931202774456502931466571631801567122491508058150949000
CO_1001710567381550098037910
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
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9,997
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1.72717
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2023-12-02T01:23:39
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2023
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
A2B
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MD_7964639482890510039065165
2024-08-16T15:20:20
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PO_6503365064794977729386838
null
null
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[ "SIMPLE_NN_SiO2_8206" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1002402991976091831091729
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:12:06
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PO_5994267006821673009412073
null
null
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[ "SIMPLE_NN_SiO2_7302" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1002664681396035389423758
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:17:29
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PO_4417243082448122024650992
null
null
null
[ "SIMPLE_NN_SiO2_8902" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1003282958402449813629381
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:12:38
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[ "SIMPLE_NN_SiO2_9509" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1003525466582892705294097
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:17:29
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[ "SIMPLE_NN_SiO2_6194" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1003550703927963108585331
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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1.72717
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2023-12-02T01:23:39
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MD_7964639482890510039065165
2024-08-16T14:30:53
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PO_1294586179528080084326821
null
null
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[ "SIMPLE_NN_SiO2_6412" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1003828855689290905325375
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:19:07
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PO_7618672994642895742961863
null
null
null
[ "SIMPLE_NN_SiO2_2608" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10040610703512443001540591996031708945900371229736383748032782229965080614098085789686011885184321976872226931162754348363151095518417194935463437746370462
CO_1004061070351244300154059
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
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1.72717
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2023-12-02T01:23:39
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2023
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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A2B
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MD_7964639482890510039065165
2024-08-16T14:12:08
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[ "SIMPLE_NN_SiO2_5016" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1004541717968041414240292
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T15:10:06
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[ "SIMPLE_NN_SiO2_7832" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1005124304986028061194442
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:59:21
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PO_1058922515872040681125607
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[ "SIMPLE_NN_SiO2_7097" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1005133522321899420390253
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T15:24:41
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[ "SIMPLE_NN_SiO2_7947" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1005263523557625177839205
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:30:02
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[ "SIMPLE_NN_SiO2_8523" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1005456271466495724483892
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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2023-12-02T01:23:39
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MD_7964639482890510039065165
2024-08-16T14:34:11
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PO_8314649096854693312046918
null
null
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[ "SIMPLE_NN_SiO2_137" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:01
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CO_1005741507410150640502092
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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null
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MD_7964639482890510039065165
2024-08-16T14:51:16
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PO_2927086544664587390316219
null
null
null
[ "SIMPLE_NN_SiO2_782" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10058031553768007701834511182054801700015883738986659443717547318701909820619239802488959741392370345106788912394519225709358501852988304697724701349274035
CO_1005803155376800770183451
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
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2023-12-02T01:23:39
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 0.6666666666666666, 0.3333333333333333 ]
GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
11961899287072919564387849828714720273254739748246301819980501380835735857477063466442489260027295779496033612539616397855291241517547737893308679590347509
DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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A2B
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MD_7964639482890510039065165
2024-08-16T15:12:33
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PO_1277897286528760367049424
null
null
null
[ "SIMPLE_NN_SiO2_6933" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10062912166912160935332169205209270251346517098607373385253174191908898883964319193385740717155172407050073194308829471590196862568782701760427139498375959
CO_1006291216691216093533216
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:49:55
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PO_7535934851869439456304295
null
null
null
[ "SIMPLE_NN_SiO2_5269" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10068082984275772334790794297637195106307546221475617608384133576442463484165552667212167349022158988439007158223122655016488241074169794521569775279597216
CO_1006808298427577233479079
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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1.72717
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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null
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MD_7964639482890510039065165
2024-08-16T15:08:59
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PO_6976313258958357976843260
null
null
null
[ "SIMPLE_NN_SiO2_9462" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1006818024565877465937812
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:28:23
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[ "SIMPLE_NN_SiO2_3039" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1006827650844683721807051
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:11:21
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PO_3460410211415449702094857
null
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[ "SIMPLE_NN_SiO2_6303" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1007078915570418990317280
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:19:18
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PO_4180887190300720815805908
null
null
null
[ "SIMPLE_NN_SiO2_2794" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10075998228501682438743095034920104228682937794066135052380339558443356039030512769740849104630115722869095413579679579599734047843550523356154279251988587
CO_1007599822850168243874309
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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null
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MD_7964639482890510039065165
2024-08-16T14:15:45
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PO_9163415357363528472789992
null
null
null
[ "SIMPLE_NN_SiO2_8184" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10076967001546225336043723752939561560892780238875081972385944280303386406687954311234883090464976755760713572580069761512310531906562275710716358508564528
CO_1007696700154622533604372
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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1.72717
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2023-12-02T01:23:39
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[ 3 ]
2023
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
11961899287072919564387849828714720273254739748246301819980501380835735857477063466442489260027295779496033612539616397855291241517547737893308679590347509
DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
A2B
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MD_7964639482890510039065165
2024-08-16T15:09:00
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null
null
null
[ "SIMPLE_NN_SiO2_7284" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1008149052084914568052193
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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null
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MD_7964639482890510039065165
2024-08-16T14:14:14
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PO_7410920638306188921526918
null
null
null
[ "SIMPLE_NN_SiO2_8249" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1008528211643381866688646
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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2023
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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A2B
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DFT-PBE
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null
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null
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MD_7964639482890510039065165
2024-08-16T14:58:25
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PO_9909408132243902932709243
null
null
null
[ "SIMPLE_NN_SiO2_1884" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:01
1008596548138412268650129176925366808984132929997814694491540490575193015628740127828168825535396845494013661717110122122799759881591020320916315898461135
CO_1008596548138412268650129
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T15:25:33
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[ "SIMPLE_NN_SiO2_2707" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1009405806009075130205893
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:34:58
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[ "SIMPLE_NN_SiO2_4662" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1010351825439455480090134
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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2023-12-02T01:23:39
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MD_7964639482890510039065165
2024-08-16T14:13:42
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PO_4487716825462772934054257
null
null
null
[ "SIMPLE_NN_SiO2_2348" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1011242309685386858862527
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:31:35
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PO_1227362998152254796741066
null
null
null
[ "SIMPLE_NN_SiO2_4561" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
101176114866786189824126124555814287550779226516233461261856965644984968186237559631847946081875722001646217410421902057455628018121279875575632145423733
CO_1011761148667861898241261
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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1.72717
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2023-12-02T01:23:39
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2023
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
11961899287072919564387849828714720273254739748246301819980501380835735857477063466442489260027295779496033612539616397855291241517547737893308679590347509
DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
A2B
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MD_7964639482890510039065165
2024-08-16T14:48:13
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[ "SIMPLE_NN_SiO2_9112" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1011970894736576070361900
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:44:47
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[ "SIMPLE_NN_SiO2_3954" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1012133585369003451199689
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:12:50
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PO_1066147492614510861765941
null
null
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[ "SIMPLE_NN_SiO2_7411" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1012460346600372625306139
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:13:14
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[ "SIMPLE_NN_SiO2_1716" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1012902201875875583705569
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:13:16
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[ "SIMPLE_NN_SiO2_9900" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1013150895472657725281829
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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1.72717
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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O40Si20
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MD_7964639482890510039065165
2024-08-16T15:29:41
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PO_7704273936555378507150686
null
null
null
[ "SIMPLE_NN_SiO2_7228" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1013790458856656223793617
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:13:49
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PO_1233691853841948744385007
null
null
null
[ "SIMPLE_NN_SiO2_4969" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10138366563407009434743054928022009910567958435070956682969510576474367219701422676649381737873531352866743445724085061574482882300634818940003463297385154
CO_1013836656340700943474305
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
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1.72717
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2023-12-02T01:23:39
[ [ 1, 1, 1 ] ]
[ 3 ]
2023
[ 0.6666666666666666, 0.3333333333333333 ]
GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
11961899287072919564387849828714720273254739748246301819980501380835735857477063466442489260027295779496033612539616397855291241517547737893308679590347509
DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
A2B
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[ "O", "Si" ]
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MD_7964639482890510039065165
2024-08-16T14:57:06
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[ "SIMPLE_NN_SiO2_6901" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1014790599297934956812679
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:13:10
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[ "SIMPLE_NN_SiO2_1280" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:01
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CO_1015008629880816350770937
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:13:54
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PO_1194621944661422815478114
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[ "SIMPLE_NN_SiO2_1658" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1015088035853911681776271
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T15:25:37
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[ "SIMPLE_NN_SiO2_9560" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1015402083991264750996872
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:57:05
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[ "SIMPLE_NN_SiO2_6297" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1015540354512100130649017
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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MD_7964639482890510039065165
2024-08-16T14:14:07
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PO_8362923895223014922514812
null
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[ "SIMPLE_NN_SiO2_2356" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1015693510401171442849593
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:54:57
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PO_9256304711683053600037535
null
null
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[ "SIMPLE_NN_SiO2_1336" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10188228550164708884597929167384084311301143250636633606401038959488039128028023808446725431477132356134986968851110028687777554593735648772049828097477352
CO_1018822855016470888459792
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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1.72717
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2023-12-02T01:23:39
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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A2B
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MD_7964639482890510039065165
2024-08-16T14:13:51
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null
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[ "SIMPLE_NN_SiO2_7690" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1018975462494507062131884
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T15:02:23
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PO_1176705332700178039349415
null
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[ "SIMPLE_NN_SiO2_6193" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1019022920691261273493719
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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1.72717
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:20:41
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PO_5837846271169229470459742
null
null
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[ "SIMPLE_NN_SiO2_7090" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1020304518993029496939959
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:36:10
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[ "SIMPLE_NN_SiO2_7997" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1020386104581926237263253
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:15:16
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[ "SIMPLE_NN_SiO2_8669" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1020980198867374306891672
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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MD_7964639482890510039065165
2024-08-16T15:31:30
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PO_9065056850152304227970613
null
null
null
[ "SIMPLE_NN_SiO2_6136" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1020981750670538239644082
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:05:40
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PO_1735043746183778224500210
null
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[ "SIMPLE_NN_SiO2_325" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10215309815760019548466409001133797626869502706621034738498678342280051792317111378122964581325492167712518124701413753826798806088119280197214992988817615
CO_1021530981576001954846640
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
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1.72717
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2023-12-02T01:23:39
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2023
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
11961899287072919564387849828714720273254739748246301819980501380835735857477063466442489260027295779496033612539616397855291241517547737893308679590347509
DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
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MD_7964639482890510039065165
2024-08-16T14:56:18
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null
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[ "SIMPLE_NN_SiO2_8633" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1021765934181438608370654
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:11:53
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PO_9906175996689826816061126
null
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[ "SIMPLE_NN_SiO2_7290" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1022112408512975895149303
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
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MD_7964639482890510039065165
2024-08-16T14:59:03
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PO_7980959891905505796224785
null
null
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[ "SIMPLE_NN_SiO2_6725" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1022215912052800918656892
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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MD_7964639482890510039065165
2024-08-16T15:24:07
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[ "SIMPLE_NN_SiO2_9708" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1022817487760499213494262
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:45:40
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[ "SIMPLE_NN_SiO2_462" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1022884200793854811055102
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
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1.72717
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2023-12-02T01:23:39
[ [ 1, 1, 1 ] ]
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:29:36
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null
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[ "SIMPLE_NN_SiO2_9453" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1022961246945591728779864
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:25:01
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PO_2240210286707051201749064
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[ "SIMPLE_NN_SiO2_6742" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1022999990756203663149896
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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1.72717
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:15:47
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null
null
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[ "SIMPLE_NN_SiO2_1149" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1023085289370889349681855
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:13:47
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PO_3032713356497076036341559
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[ "SIMPLE_NN_SiO2_3996" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1023566790911810552928916
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:17:57
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PO_1159521357815761974259868
null
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[ "SIMPLE_NN_SiO2_190" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1023856977149698628681140
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:12:42
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[ "SIMPLE_NN_SiO2_7845" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1024052754645249075859132
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:44:22
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PO_4917827674859913676181026
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[ "SIMPLE_NN_SiO2_4010" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1024362437748625472250225
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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O40Si20
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MD_7964639482890510039065165
2024-08-16T15:25:41
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PO_7046061087333065813866357
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[ "SIMPLE_NN_SiO2_1137" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1024466256042255100303774
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:12:48
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[ "SIMPLE_NN_SiO2_3534" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
10250962471510299085110961643956865883619442479164872211121018698049277780580845769272181608187361728965351158776815001825762809913301945112255642267988667
CO_1025096247151029908511096
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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1.72717
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2023-12-02T01:23:39
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:12:15
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[ "SIMPLE_NN_SiO2_8969" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1025134301044285934003012
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:12:15
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PO_1015430318433087785373595
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[ "SIMPLE_NN_SiO2_8434" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1025824750958023723342572
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:13:09
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PO_8155870159486835485821830
null
null
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[ "SIMPLE_NN_SiO2_4666" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1026048707713392704891698
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:35:09
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[ "SIMPLE_NN_SiO2_7801" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1026320871932745104692734
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:29:46
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[ "SIMPLE_NN_SiO2_6115" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1026946272957035727382621
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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MD_7964639482890510039065165
2024-08-16T15:18:03
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PO_7415091299089899162330363
null
null
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[ "SIMPLE_NN_SiO2_0" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:01
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CO_1027076660800246840505651
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:12:56
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PO_6150860049745249425693994
null
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[ "SIMPLE_NN_SiO2_9219" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
1027437099587436199399528326092414586159865517770979817665993351440472933452603465305593497832739165229094175704140111810603096995243710002977384624006115
CO_1027437099587436199399528
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
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1.72717
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2023-12-02T01:23:39
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2023
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
11961899287072919564387849828714720273254739748246301819980501380835735857477063466442489260027295779496033612539616397855291241517547737893308679590347509
DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
A2B
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MD_7964639482890510039065165
2024-08-16T14:18:17
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[ "SIMPLE_NN_SiO2_7981" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1027524786507038062340235
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T15:14:48
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null
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[ "SIMPLE_NN_SiO2_9764" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1027736565545311805077422
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:18:22
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PO_7990404324738340780820990
null
null
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[ "SIMPLE_NN_SiO2_5591" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1028767735727366837140954
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T15:09:03
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[ "SIMPLE_NN_SiO2_5437" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1029182384112592946046577
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:14:23
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[ "SIMPLE_NN_SiO2_9052" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1029310964353343310169264
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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2023-12-02T01:23:39
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O40Si20
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MD_7964639482890510039065165
2024-08-16T14:12:39
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PO_1161505366697583757617450
null
null
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[ "SIMPLE_NN_SiO2_672" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:01
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CO_1030283529005332424879955
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:12:59
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PO_2933730690238421926623105
null
null
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[ "SIMPLE_NN_SiO2_5539" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
103033097209347665985095925028533539194613075947012075234326855982539486721198802160547763118668830933898362807197581580275734317274717249952601332374250
CO_1030330972093476659850959
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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1.72717
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2023-12-02T01:23:39
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2023
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:14:47
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null
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[ "SIMPLE_NN_SiO2_909" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1031411710381913126964354
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:46:36
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PO_5423749264949124592540076
null
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[ "SIMPLE_NN_SiO2_499" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1031760520697876582447125
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:14:15
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PO_1001805891041938752457697
null
null
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[ "SIMPLE_NN_SiO2_4326" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1032833102649491957883438
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:13:54
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[ "SIMPLE_NN_SiO2_9" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:01
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CO_1033231012597360728034697
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:14:18
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[ "SIMPLE_NN_SiO2_967" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1033351618473108769068615
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
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MD_7964639482890510039065165
2024-08-16T15:13:13
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PO_1296395080644215693288384
null
null
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[ "SIMPLE_NN_SiO2_1987" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1034862273443950376502080
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:59:25
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PO_8442296954115551380247310
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[ "SIMPLE_NN_SiO2_6384" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1034957105535228787049800
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
[ [ 1, 1, 1 ] ]
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:00:03
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null
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[ "SIMPLE_NN_SiO2_9737" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1034990540172798584323126
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:23:20
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[ "SIMPLE_NN_SiO2_9573" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1035030657406964777985993
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:12:58
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PO_3993352406700189881184998
null
null
null
[ "SIMPLE_NN_SiO2_1913" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1035709058260427866938019
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:21:06
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[ "SIMPLE_NN_SiO2_5297" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1035762426479804418929903
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:33:01
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PO_5427607205708630780549431
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[ "SIMPLE_NN_SiO2_9388" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1036493600479841990363287
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
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1.72717
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2023-12-02T01:23:39
[ [ 1, 1, 1 ] ]
[ 3 ]
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GPL-3.0
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T14:12:36
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PO_6802681007134461245983341
null
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[ "SIMPLE_NN_SiO2_4775" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1036719494729943758707075
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T15:13:18
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PO_9526457412383153732113667
null
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[ "SIMPLE_NN_SiO2_9141" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1037189068564619617382483
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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1.72717
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2023-12-02T01:23:39
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
A2B
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MD_7964639482890510039065165
2024-08-16T14:53:26
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null
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[ "SIMPLE_NN_SiO2_4914" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1037343514367488936240331
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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MD_7964639482890510039065165
2024-08-16T14:46:52
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[ "SIMPLE_NN_SiO2_7050" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1037407196349425120812852
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
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MD_7964639482890510039065165
2024-08-16T15:32:31
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PO_1287493202851351933442012
null
null
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[ "SIMPLE_NN_SiO2_2858" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1037492679272731403010108
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
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2023-12-02T01:23:39
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SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
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MD_7964639482890510039065165
2024-08-16T14:11:41
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[ "SIMPLE_NN_SiO2_4337" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1037716656737990093686438
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
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2023-12-02T01:23:39
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{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0
O40Si20
O2Si
A2B
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MD_7964639482890510039065165
2024-08-16T14:13:06
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PO_6034727338841729235063419
null
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[ "SIMPLE_NN_SiO2_2701" ]
[ "DS_w2ngtxl0ep5d_0" ]
2023-12-02T06:23:02
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CO_1038456442396310542841956
SIMPLE_NN_SiO2
[ "Kyuhyun Lee", "Dongsun Yoo", "Wonseok Jeong", "Seungwu Han" ]
10,000 configurations of SiO2 used as an example for the SIMPLE-NN machine learning model. Dataset includes three types of crystals: quartz, cristobalite and tridymite; amorphous; and liquid phase SiO2. Structures with distortion from compression, monoaxial strain and shear strain were also included in the training set.
[ "O", "Si" ]
2
9,997
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9,997
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9,997
-457.266009
1.72717
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2023-12-02T01:23:39
[ [ 1, 1, 1 ] ]
[ 3 ]
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GPL-3.0
{'source-publication': 'https://doi.org/10.1016/j.cpc.2019.04.014', 'source-data': 'https://doi.org/10.17632/pjv2yr7pvr.1', 'other': None}
10.60732/9903bf08
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DS_w2ngtxl0ep5d_0
SIMPLE_NN_SiO2__Lee-Yoo-Jeong-Han__DS_w2ngtxl0ep5d_0