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[
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1.3983989... | [
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[
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[
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PO_3498623841255492780410454 | 3498623841255492780410454767207211418746601422327880949235903988432722079431887407762881932520012238854553339628729954616302883402506198725003076278694185 | 2025-04-16T18:47:35 | DS_jf20mvwao5xi_0 | 1 | VASP | DFT-PBE | -98.154865 | [
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[
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[
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[
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1
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] | null | data/MD/3085/MD_3675108599051427861473085.json | null | null | null | {"input": {"energy-convergence": {"value": 1e-05, "units": "eV"}, "forces-convergence": {"value": 0.02, "units": "eV/Ang"}, "k-point-mesh": "3x3x3", "kinetic-energy-cutoff": {"value": 520, "units": "eV"}}, "hash": "3675108599051427861473085714243225308802435611563687933878560098495337117258463412585021990865015101366300445184453674582578239621276593682205519717051581", "id": "MD_3675108599051427861473085"} |
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