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| Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials | [
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| null | null | null | -617.527797 | null | 2.727532 | 6.182873 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T15:04:31 | 782963318365881069837833679771631430828556428920424143177715567397408047445170990722324819201362275389737262992763615090148006670820094894777120701965592 | PO_7829633183658810698378336 | null | null | null | [
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| 2023-12-01T23:58:30 | 1232576318279629959282759246314413711268958315681408120492738365766071746202135369373899789511171354273736102568268675025327249025909167604541508184176187 | CO_1232576318279629959282759 | CA-9_validation | [
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| null | null | null | -625.988342 | null | 3.433008 | 7.102804 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T15:30:38 | 12878541314606808582758746562819318344982814482656413770216237218561047009585013458123813603541155343633529040941813713212203693077773788435095325897541418 | PO_1287854131460680858275874 | null | null | null | [
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| null | null | null | -520.920068 | null | 2.777315 | 6.332121 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T15:15:16 | 4792834555702332773741438250721774442146218304313074977980281456799810665425642844101078664344017145300831477340171261127689950414172856120206660850611002 | PO_4792834555702332773741438 | null | null | null | [
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| 2023-12-01T23:58:30 | 12533893939344503508795120361879328264294543217320169617822353889476182131776233508491679529711255458579320878297504888423250134725978022770728613176122639 | CO_1253389393934450350879512 | CA-9_validation | [
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| Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials | [
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| 2023-12-01T23:58:31 | 12540466433402355614195327139537281751198035256844713425807755807183276034268753406258927351502845300514483408963462007920344325249962568965459023911465134 | CO_1254046643340235561419532 | CA-9_validation | [
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"Fredrik Sandin",
"J. Andreas Larsson",
"Yoshiyuki Miyamoto"
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| Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials | [
"C"
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| 1 | 8,000 | 8,000 | 436,601 | 0 | 8,000 | 0 | 8,000 | 0 | 8,000 | -468.657968 | 12,980.365193 | 0 | 2023-12-01T18:59:39 | [
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| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.cartre.2021.100027', 'source-data': 'https://doi.org/10.24435/materialscloud:6h-yj', 'other': None} | 10.60732/5cebd981 | 6786253847045172955885803569588349709236592764831810371069539168969962232135226404189095846670960274765158990683864153553298533309101480717530898583437890 | DS_07zjrtacjg3z_0 | CA-9_validation__Hedman-Rothe-Johansson-Sandin-Larsson-Miyamoto__DS_07zjrtacjg3z_0 |
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| null | null | null | -193.059017 | null | 2.534591 | 5.979171 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T14:56:35 | 12205006758801163333451832341963141697758519797128670411716274598145699602882174601490554913448317193391796225201707560794542324255336890398095891961246256 | PO_1220500675880116333345183 | null | null | null | [
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| [
"DS_fw7m5d8b0fa9_0",
"DS_l7inbtql4ea9_0",
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| 2023-12-01T23:58:30 | 12547976263334293599502619578036291852999283194342026455122565615576740148165158796748938359944141502666478836183668610470578418462769075096571753503667123 | CO_1254797626333429359950261 | CA-9_validation | [
"Daniel Hedman",
"Tom Rothe",
"Gustav Johansson",
"Fredrik Sandin",
"J. Andreas Larsson",
"Yoshiyuki Miyamoto"
]
| Configurations from CA-9 dataset used during validation step for NNP_CA-9 potential. CA-9 consists of configurations of carbon with curated subsets chosen to test the effects of intentionally choosing dissimilar configurations when training neural network potentials | [
"C"
]
| 1 | 8,000 | 8,000 | 436,601 | 0 | 8,000 | 0 | 8,000 | 0 | 8,000 | -468.657968 | 12,980.365193 | 0 | 2023-12-01T18:59:39 | [
[
1,
1,
1
]
]
| [
3
]
| 2023 | [
1
]
| CC-BY-4.0 | {'source-publication': 'https://doi.org/10.1016/j.cartre.2021.100027', 'source-data': 'https://doi.org/10.24435/materialscloud:6h-yj', 'other': None} | 10.60732/5cebd981 | 6786253847045172955885803569588349709236592764831810371069539168969962232135226404189095846670960274765158990683864153553298533309101480717530898583437890 | DS_07zjrtacjg3z_0 | CA-9_validation__Hedman-Rothe-Johansson-Sandin-Larsson-Miyamoto__DS_07zjrtacjg3z_0 |
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