{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" ] } "a" { "source-value" [ 6.37962 5.952162 5.68724 5.494761 5.343495 5.218869 5.112891 5.020698 4.939114 4.865948 4.799623 4.738969 4.683092 4.631295 4.583021 4.537822 4.49533 4.455238 4.41729 4.381269 4.346987 4.314285 4.283023 4.25308 4.232695 4.211242 4.1886 4.164631 4.13917 4.112019 4.082936 4.051627 4.017721 3.980748 3.940098 3.894959 3.844214 3.78627 3.718742 3.637819 3.536838 3.40246 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.379620000000001e-10 5.952162000000001e-10 5.68724e-10 5.494760999999999e-10 5.343495e-10 5.218869e-10 5.112891e-10 5.020698e-10 4.939114e-10 4.865948000000001e-10 4.799623000000001e-10 4.738969e-10 4.683092000000001e-10 4.631295e-10 4.5830209999999996e-10 4.5378220000000004e-10 4.49533e-10 4.455238e-10 4.417290000000001e-10 4.3812689999999996e-10 4.3469870000000006e-10 4.314285e-10 4.283023e-10 4.25308e-10 4.2326949999999997e-10 4.2112420000000004e-10 4.1886000000000004e-10 4.1646310000000003e-10 4.1391700000000003e-10 4.112019e-10 4.082936e-10 4.051627e-10 4.017721e-10 3.9807480000000003e-10 3.940098e-10 3.8949590000000004e-10 3.8442140000000003e-10 3.7862700000000004e-10 3.718742e-10 3.637819e-10 3.536838e-10 3.40246e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.356276 1.21328 2.22709 3.18825 4.02868 4.74371 5.34702 5.85428 6.27904 6.63254 6.92424 7.16242 7.35443 7.50694 7.62589 7.7166 7.78418 7.8335 7.86844 7.89215 7.90706 7.91505 7.91748 7.91638 7.91285 7.90646 7.89652 7.88204 7.86146 7.83242 7.7912 7.73205 7.64588 7.51831 7.32635 7.03278 6.57642 5.85412 4.68968 2.78132 -0.809451 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 5.708170777521408e-20 1.943888850484224e-19 3.5681915304174722e-19 5.1081396112656e-19 6.454656908684544e-19 7.600261257855169e-19 8.566870434950016e-19 9.379590547617025e-19 1.0060131089068033e-18 1.0626500524520831e-18 1.1093855444808192e-18 1.1475461872350336e-18 1.1783095805310145e-18 1.2027443761748352e-18 1.2218022670792513e-18 1.236335611206528e-18 1.2471631208098945e-18 1.2550650559036801e-18 1.2606630610167552e-18 1.2644618217846721e-18 1.266850667126285e-18 1.2681308062463041e-18 1.2685201351651586e-18 1.2683438957368706e-18 1.267778327389728e-18 1.266754536529037e-18 1.2651619729679617e-18 1.2628420212210433e-18 1.259544741735437e-18 1.2548920208286337e-18 1.248287848797696e-18 1.238810974085664e-18 1.2250050181442304e-18 1.2045660509926847e-18 1.173810668579808e-18 1.1267755695229824e-18 1.0536586372561536e-18 9.379334199357696e-19 7.513695655033345e-19 4.456165878963457e-19 -1.296883467883181e-19 ] } }