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| null | null | null | -616.618669 | null | 3.117291 | 9.455657 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T14:55:39 | 5587595713307787124279991179343690064047022615523745537487544133003327878071225677777161814874719635987384241025921303530304453536519795556858725844877184 | PO_5587595713307787124279991 | null | null | null | [
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| 2023-12-01T23:56:38 | 12591132740625749003591675249674571877275023710029564805179002214377587601314314055126948557254027904171814932153229419536667689310835931137483244443814629 | CO_1259113274062574900359167 | CA-9_BB_validation | [
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| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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 | -617.323592 | null | 3.251591 | 7.426787 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T14:18:10 | 11335765497923836071301940663819897831460919414280496723703247402480578483726102427990627130469005617687496533685621208514152113687894865011683787192792040 | PO_1133576549792383607130194 | null | null | null | [
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| 2023-12-01T23:56:38 | 13079066687877092123118251060439793250000378127145676096619698095876140508119577647877346440433308805217449774904263015603066615225319963134321254629320925 | CO_1307906668787709212311825 | CA-9_BB_validation | [
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| 2023-12-01T23:56:39 | 2292077847075237263258916191270782686800759499462187690646796091615806149790023123554131280261298593749794288433321830565290626528182436418240902473783691 | CO_2292077847075237263258916 | CA-9_BB_validation | [
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| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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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| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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 | -616.951657 | null | 3.004146 | 7.573649 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T15:19:27 | 4239279559172040024108554401569568902136284564066773492363338046620222378773966082283282543061661376875841098385452026553191226358170600207281033131527281 | PO_4239279559172040024108554 | null | null | null | [
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| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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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| 1 | 4,003 | 4,003 | 233,034 | 0 | 4,003 | 0 | 4,003 | 0 | 4,003 | -501.735936 | 10,202.734006 | 0 | 2023-12-01T18:52:50 | [
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| null | null | null | -195.191654 | null | 2.736524 | 6.45881 | {"input": {"encut": {"value": 520, "units": "eV"}}, "hash": "102439862957345416579435757980411251184715859364031590652706556386856859773466490977891980138017845683216054395454090990042136855050809363628328039055230", "id": "MD_1024398629573454165794357"} | MD_1024398629573454165794357 | 2024-08-16T14:19:26 | 5875532278434755481144187264530314786352788490596747940706524043765020410607151692727705363640332399408077161788100509737282566636098663695450880854253039 | PO_5875532278434755481144187 | null | null | null | [
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| 2023-12-01T23:56:36 | 3040508063762070650583419930974251297582271564695147206878792679166968727392163156747417004705450883724355597316751602230826385945457536556396582449092445 | CO_3040508063762070650583419 | CA-9_BB_validation | [
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]
| Binning-binning configurations from CA-9 dataset used during validation step for NNP_BB 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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| 1 | 4,003 | 4,003 | 233,034 | 0 | 4,003 | 0 | 4,003 | 0 | 4,003 | -501.735936 | 10,202.734006 | 0 | 2023-12-01T18:52:50 | [
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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} | 10.60732/95c19122 | 9987403613029629768726893456954031024119887046898145763926846230248531061270033011778359623539974970922272163569034827090035859539661759104921473348571593 | DS_8zft35i5sbgd_0 | CA-9_BB_validation__Hedman-Rothe-Johansson-Sandin-Larsson-Miyamoto__DS_8zft35i5sbgd_0 |
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