{ "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" [ 6.0084 5.605815 5.356309 5.175029 5.032566 4.915192 4.81538 4.728551 4.651715 4.582806 4.52034 4.463216 4.410591 4.361807 4.316342 4.273774 4.233754 4.195995 4.160255 4.12633 4.094043 4.063243 4.033801 4.0056 3.986402 3.966196 3.944872 3.922298 3.898319 3.872748 3.845357 3.81587 3.783937 3.749116 3.710832 3.668319 3.620527 3.565955 3.502357 3.426143 3.331039 3.20448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.008400000000001e-10 5.605815e-10 5.356309e-10 5.175029e-10 5.032566e-10 4.915192e-10 4.815380000000001e-10 4.728551e-10 4.651715e-10 4.582806e-10 4.52034e-10 4.463216e-10 4.4105910000000005e-10 4.361807e-10 4.316342e-10 4.273774000000001e-10 4.233754e-10 4.195995e-10 4.160255e-10 4.1263300000000003e-10 4.0940430000000003e-10 4.063243e-10 4.0338010000000004e-10 4.0056000000000006e-10 3.986402e-10 3.966196e-10 3.9448720000000004e-10 3.9222980000000004e-10 3.898319e-10 3.8727480000000003e-10 3.845357e-10 3.81587e-10 3.783937e-10 3.749116e-10 3.710832e-10 3.668319e-10 3.6205270000000004e-10 3.5659550000000005e-10 3.502357e-10 3.4261430000000005e-10 3.331039e-10 3.2044800000000005e-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" [ 0.035909 0.106435 0.0976315 0.0729794 0.0985822 0.202262 0.600916 1.20106 1.83466 2.38119 2.81292 3.13376 3.34699 3.45365 3.48989 3.499 3.51937 3.56077 3.61741 3.68376 3.75042 3.79827 3.8326 3.90868 3.78077 3.5078 3.20848 2.88025 2.52022 2.12521 1.69169 1.21589 0.694006 0.122187 -0.503053 -1.18405 -1.91939 -2.7119 -3.56884 -4.7845 -6.9575 -11.0088 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.7532560750306e-21 1.7052767003978998e-20 1.56422908042371e-20 1.169258894433396e-20 1.579460973683148e-20 3.24059450346108e-20 9.627735741967439e-20 1.9243102680320398e-19 2.9394493833344397e-19 3.81508697911446e-19 4.50679469731128e-19 5.02083704856384e-19 5.36246917223166e-19 5.5333573320141e-19 5.59142021323026e-19 5.606016042366e-19 5.638652380400579e-19 5.70498249304818e-19 5.795729777597939e-19 5.902034197263839e-19 6.00883529168628e-19 6.085499443623179e-19 6.140502167468399e-19 6.262395765783119e-19 6.05746135252818e-19 5.6201151967452e-19 5.14055168665632e-19 4.6146692500785e-19 4.03783759653948e-19 3.4049618043431397e-19 2.7103861899714596e-19 1.9480705475142597e-19 1.111920197055804e-19 1.95765156378558e-20 -8.059797622636019e-20 -1.8970572434877e-19 -3.07520180953326e-19 -4.3449428137446e-19 -5.717912058484559e-19 -7.665614105373e-19 -1.1147143931054999e-18 -1.76380421283792e-18 ] } }