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Model for bulk_modulus_JVASP_867_Cu

  • Description: This is a benchmark to evaluate how accurately an ES model can predict bulk modulus of diamond copper (JVASP-867).


Reference(s): https://www.ctcms.nist.gov/potentials/, https://doi.org/10.48550/arXiv.2305.11842, https://www.nature.com/articles/s41524-020-00440-1, https://jarvis.nist.gov/jarvisff/

Model benchmarks

Model name Dataset MAE Team name Dataset size Date submitted Notes
2015--Borovikov-V--fictional-Cu-2--LAMMPS--ipr1dft_3d0.8451IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2009--Kang-K-H--Cu-Zr-Ag--LAMMPS--ipr1dft_3d0.0129IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
1985--Foiles-S-M--Ni-Cu--LAMMPS--ipr1dft_3d3.4737IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2016--Borovikov-V--fictional-Cu-31--LAMMPS--ipr1dft_3d1.5642IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2009--Mendelev-M-I--Cu-Zr--LAMMPS--ipr1dft_3d3.1542IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Cu.eam.fsdft_3d89.1333JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
1990--Ackland-G-J--Cu-Ag-Au--LAMMPS--ipr1dft_3d4.9552IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2018--Zhou-X-W--Al-Cu-H--LAMMPS--ipr1dft_3d0.0296IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
SNAP_ZuoChenLi_2019_Cu__MO_931672895580_000dft_3d1.233IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_OnatDurukanoglu_2014_CuNi__MO_592013496703_005dft_3d3.5258IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_HoytGarvinWebb_2003_PbCu__MO_119135752160_005dft_3d2.402IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Cu_mishin1.eam.alloydft_3d3.6467JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuAgAu__MO_318213562153_000dft_3d4.0313IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cu__MO_173787283511_004dft_3d2.2352IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
AlCu.eam.alloydft_3d1.23JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
Cu-Zr.eam.fsdft_3d3.17JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001dft_3d7.4632IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2016--Borovikov-V--Cu-Zr--LAMMPS--ipr1dft_3d1.5643IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2016--Borovikov-V--fictional-Cu-32--LAMMPS--ipr1dft_3d1.7384IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_CaiYe_1996_AlCu__MO_942551040047_005dft_3d1.2323IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Mendelev_Cu2_2012.eam.fsdft_3d0.8367JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
1990--Ackland-G-J--Cu--LAMMPS--ipr2dft_3d5.6558IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_GolaPastewka_2018_CuAu__MO_426403318662_000dft_3d3.4887IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2005--Lee-B-J--Fe-Cu--LAMMPS--ipr1dft_3d0.0142IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_AcklandTichyVitek_1987_Cu__MO_179025990738_005dft_3d4.9506IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2021--Agrawal-A--Cu-C--LAMMPS--ipr1dft_3d0.0701IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
1986--Foiles-S-M--Cu--LAMMPS--ipr1dft_3d3.4763IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2004--Lee-B-J--Cu-Ni--LAMMPS--ipr1dft_3d0.0142IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
ffield.combdft_3d3.6633JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
1989--Adams-J-B--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1dft_3d3.4763IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Borovikov-V--fictional-Cu-6--LAMMPS--ipr1dft_3d0.833IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Purja-Pun-G-P--Cu-Ta--LAMMPS--ipr2dft_3d3.6205IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Borovikov-V--fictional-Cu-5--LAMMPS--ipr1dft_3d0.8479IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2020--Wang-J--Cu-Co--LAMMPS--ipr1dft_3d0.0149IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2018--Farkas-D--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1dft_3d3.899IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
ffield.ZnOCu.comb3dft_3d1.9233JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
2015--Borovikov-V--fictional-Cu-7--LAMMPS--ipr1dft_3d0.6631IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
1986--Foiles-S-M--Ag-Au-Cu-Ni-Pd-Pt--LAMMPS--ipr1dft_3d3.4763IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Morse_Shifted_GirifalcoWeizer_1959HighCutoff_Cu__MO_151002396060_004dft_3d2.2614IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Borovikov-V--fictional-Cu-4--LAMMPS--ipr1dft_3d0.8266IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2013--Onat-B--Cu-Ni--LAMMPS--ipr2dft_3d3.5258IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
SNAP_ZuoChenLi_2019quadratic_Cu__MO_265210066873_000dft_3d0.2554IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_NN_Johnson_1988_Cu__MO_887933271505_002dft_3d3.7264IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2012--Mendelev-M-I--Cu--LAMMPS--ipr1dft_3d0.836IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_MendelevKramerOtt_2009_CuZr__MO_600021860456_005dft_3d3.1542IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
1989--Adams-J-B--Cu--LAMMPS--ipr1dft_3d3.4763IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2001--Mishin-Y--Cu-1--LAMMPS--ipr1dft_3d3.6368IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_AdamsFoilesWolfer_1989Universal6_Cu__MO_145873824897_000dft_3d3.4763IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_FoilesBaskesDaw_1986Universal3_Cu__MO_666348409573_004dft_3d3.4763IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_BorovikovMendelevKing_2016_CuZr__MO_097471813275_000dft_3d1.5643IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2011--Apostol-F--Al-Cu--LAMMPS--ipr1dft_3d3.3348IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Cu.setdft_3d1.4133JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_ZhouWadleyJohnson_2001_Cu__MO_380822813353_000dft_3d3.7888IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
1987--Ackland-G-J--Cu--LAMMPS--ipr1dft_3d4.9514IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2003--Lee-B-J--Cu--LAMMPS--ipr1dft_3d0.0142IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_ZhouJohnsonWadley_2004_Cu__MO_127245782811_005dft_3d1.4148IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Cu_zhou.eam.alloydft_3d3.7867JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_ZhouJohnsonWadley_2004NISTretabulation_CuTa__MO_950828638160_000dft_3d4.0326IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2018--Jeong-G-U--Pd-Cu--LAMMPS--ipr1dft_3d0.0159IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Cu-Zr_2.eam.fsdft_3d3.1567JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_BonnyPasianotCastin_2009_FeCuNi__MO_469343973171_005dft_3d3.6523IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2004--Zhou-X-W--Cu--LAMMPS--ipr2dft_3d3.8539IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2009--Bonny-G--Fe-Cu-Ni--LAMMPS--ipr1dft_3d3.6523IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Zhou-X-W--Cu-H--LAMMPS--ipr1dft_3d0.0296IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EMT_Asap_MetalGlass_PaduraruKenoufiBailey_2007_CuZr__MO_987541074959_001dft_3d0.5144IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2006--Williams-P-L--Cu-Ag--LAMMPS--ipr1dft_3d3.6321IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2003--Hoyt-J-J--Cu-Pb--LAMMPS--ipr1dft_3d2.402IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2021--Deluigi-O-R--Fe-Ni-Cr-Co-Cu--LAMMPS--ipr1dft_3d3.9138IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_Cu__MO_396616545191_001dft_3d7.2244IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2007--Mendelev-M-I--Cu-Zr--LAMMPS--ipr1dft_3d3.1726IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
CuAg.eam.alloydft_3d3.63JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_MishinMehlPapaconstantopoulos_2001_Cu__MO_346334655118_005dft_3d3.6368IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2018--Etesami-S-A--Cu--LAMMPS--ipr1dft_3d1.6854IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_LiuLiuBorucki_1999_AlCu__MO_020851069572_000dft_3d3.4763IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2016--Zhou-X-W--Al-Cu--LAMMPS--ipr2dft_3d0.0296IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2020--Wang-J--Cu-Mo--LAMMPS--ipr1dft_3d0.0177IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Cu01.eam.alloydft_3d3.64JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_WuTrinkle_2009_CuAg__MO_270337113239_005dft_3d42.3031IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Asadi-E--Cu--LAMMPS--ipr1dft_3d1.639IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2016--Borovikov-V--fictional-Cu-33--LAMMPS--ipr1dft_3d0.7616IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Zhou-X-W--C-Cu--LAMMPS--ipr1dft_3d518.0562IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2009--Kang-K-H--Cu-Ag--LAMMPS--ipr1dft_3d0.0159IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
1999--Liu-X-Y--Al-Cu--LAMMPS--ipr1dft_3d137.4819IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_MendelevSunZhang_2019_CuZr__MO_609260676108_000dft_3d1.3866IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_AcklandVitek_1990_Cu__MO_642748370624_000dft_3d5.6558IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2008--Mendelev-M-I--Cu--LAMMPS--ipr1dft_3d1.3841IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2016--Borovikov-V--fictional-Cu-34--LAMMPS--ipr1dft_3d1.0148IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_WilliamsMishinHamilton_2006_CuAg__MO_128703483589_005dft_3d3.6321IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
ffield.CuOCH.comb3dft_3d1.9233JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
cu_ag_ymwu.eam.alloydft_3d42.3067JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
2008--Kim-Y-M--Cu-Zr--LAMMPS--ipr1dft_3d0.0129IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2019--Mendelev-M-I--Cu-Zr--LAMMPS--ipr1dft_3d1.3866IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2009--Wu-H-H--Cu-Ag--LAMMPS--ipr1dft_3d42.3031IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Borovikov-V--fictional-Cu-3--LAMMPS--ipr1dft_3d0.836IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_MendelevKing_2013_Cu__MO_748636486270_005dft_3d0.836IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_MendelevKramerBecker_2008_Cu__MO_945691923444_005dft_3d1.3841IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EMT_Asap_MetalGlass_BaileySchiotzJacobsen_2004_CuMg__MO_228059236215_001dft_3d0.7026IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
FeCuNi.eam.alloydft_3d3.6533JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
2017--Kim-J-S--Cu-Pt--LAMMPS--ipr1dft_3d0.0159IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2020--Miraz-A-S-M--Cu-N-Ti--LAMMPS--ipr1dft_3d17.6284IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_MendelevSordeletKramer_2007_CuZr__MO_120596890176_005dft_3d3.1726IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2004--Zhou-X-W--Cu-Ag-Au--LAMMPS--ipr2dft_3d4.0313IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Cu1.eam.fsdft_3d1.3867JARVIS-FF101-14-2023CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_AcklandTichyVitek_1987v2_Cu__MO_762798677854_000dft_3d937.1583IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2019--Fischer-F--Cu-Ni--LAMMPS--ipr3dft_3d3.6367IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2004--Zhou-X-W--Ta-Cu--LAMMPS--ipr2dft_3d4.0326IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
1987--Ackland-G-J--Cu--LAMMPS--ipr2dft_3d4.9239IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2015--Borovikov-V--fictional-Cu-1--LAMMPS--ipr1dft_3d0.974IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
2022--Mahata-A--Al-Cu--LAMMPS--ipr1dft_3d1.6405IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
Morse_Shifted_GirifalcoWeizer_1959LowCutoff_Cu__MO_673777079812_004dft_3d6.2775IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_ZhouJohnsonWadley_2004_CuTa__MO_547744193826_000dft_3d9.3803IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867
EAM_Dynamo_Foiles_1985_Cu__MO_831121933939_000dft_3d3.4737IPR101-03-2024CSV, JSON, run.sh, Info, JVASP-867