{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 6.34192 5.916989 5.653633 5.462291 5.31192 5.188031 5.082678 4.99103 4.909929 4.837195 4.771262 4.710967 4.65542 4.603929 4.555941 4.511009 4.468768 4.428913 4.39119 4.355381 4.321302 4.288793 4.257716 4.22795 4.207686 4.186359 4.163851 4.140024 4.114714 4.087723 4.058812 4.027688 3.993982 3.957228 3.916819 3.871947 3.821502 3.763901 3.696772 3.616328 3.515944 3.38236 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.34192e-10 5.916989e-10 5.653633e-10 5.462291e-10 5.31192e-10 5.188031e-10 5.082678e-10 4.991030000000001e-10 4.909929e-10 4.837195e-10 4.771262e-10 4.710967e-10 4.6554200000000005e-10 4.603929e-10 4.555941e-10 4.511009e-10 4.468768e-10 4.4289129999999996e-10 4.39119e-10 4.3553810000000004e-10 4.3213020000000005e-10 4.288793e-10 4.2577160000000006e-10 4.22795e-10 4.207686e-10 4.1863590000000005e-10 4.1638510000000004e-10 4.1400240000000006e-10 4.1147140000000006e-10 4.0877230000000004e-10 4.0588119999999997e-10 4.0276880000000003e-10 3.9939820000000003e-10 3.957228e-10 3.916819e-10 3.8719470000000003e-10 3.8215020000000003e-10 3.763901e-10 3.6967720000000005e-10 3.6163280000000004e-10 3.5159440000000003e-10 3.38236e-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" [ 1.0695 0.85515 0.749101 0.708707 0.576087 0.347909 0.0657248 0.241743 0.433838 0.586015 0.902261 1.89087 2.60118 2.92466 3.01749 3.14144 3.26632 3.33512 3.38286 3.42986 3.46709 3.48931 3.50009 3.50325 3.50234 3.50002 3.49778 3.49712 3.4992 3.50541 3.51605 3.52844 3.53565 3.51755 3.43328 3.23232 2.80519 2.37893 2.04891 1.77303 0.790804 -3.4123 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7135278959455999e-19 1.37010133727712e-19 1.2001921088179008e-19 1.1354737863973057e-19 9.229931229468097e-20 5.574116659659073e-20 1.0530273796675585e-20 3.8731498284205445e-20 6.950851008146304e-20 9.38899532438112e-20 1.4455814800596289e-19 3.0295077069720964e-19 4.167549782492544e-19 4.685821875788928e-19 4.834551931497792e-19 5.033141723645952e-19 5.233221540051456e-19 5.343451291562496e-19 5.419939203439488e-19 5.495241504617089e-19 5.554890540209472e-19 5.590490904723648e-19 5.607762368695873e-19 5.6128252468176e-19 5.611367266092672e-19 5.607650216332417e-19 5.604061340701825e-19 5.603003904132096e-19 5.606336431503361e-19 5.616285948318528e-19 5.63333310756384e-19 5.653184075895552e-19 5.664735769331521e-19 5.635736372495041e-19 5.500720948660224e-19 5.178747534944256e-19 4.494409834901952e-19 3.811466028519744e-19 3.282715700123328e-19 2.840707213977024e-19 1.2670076804351232e-19 -5.46710728315584e-19 ] } }