{ "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" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 10.4871 9.784422 9.348929 9.032521 8.783863 8.578996 8.404782 8.253231 8.119119 7.998845 7.889816 7.79011 7.698257 7.61311 7.533755 7.459455 7.389604 7.323699 7.261318 7.202103 7.145749 7.091991 7.040602 6.99138 6.941619 6.890341 6.837449 6.782839 6.726394 6.667989 6.607481 6.544714 6.479512 6.411678 6.340992 6.267203 6.190026 6.109134 6.024152 5.934644 5.840101 5.739922 5.633393 5.519654 5.397658 5.26611 5.123388 4.967416 4.795478 4.603929 4.387714 4.139527 3.848245 3.49569 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.04871e-09 9.784422e-10 9.348929e-10 9.032520999999999e-10 8.783863000000001e-10 8.578996000000001e-10 8.404782000000001e-10 8.253231e-10 8.119119e-10 7.998845e-10 7.889816e-10 7.790110000000001e-10 7.698257e-10 7.61311e-10 7.533755000000001e-10 7.459455e-10 7.389604e-10 7.323699000000001e-10 7.261318e-10 7.202103e-10 7.145749000000001e-10 7.091991e-10 7.040602e-10 6.991380000000001e-10 6.941619e-10 6.890341e-10 6.837449000000001e-10 6.782839000000001e-10 6.726394e-10 6.667989000000001e-10 6.607481e-10 6.544714e-10 6.479512e-10 6.411678000000001e-10 6.340992000000001e-10 6.267203000000001e-10 6.190025999999999e-10 6.109134000000001e-10 6.024152e-10 5.934644e-10 5.840101e-10 5.739922e-10 5.633393e-10 5.519654e-10 5.397658e-10 5.26611e-10 5.123388e-10 4.967416e-10 4.795478e-10 4.603929e-10 4.387714e-10 4.1395270000000004e-10 3.848245e-10 3.4956900000000006e-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 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.0462567 0.0616875 0.0607583 0.0595101 0.0578122 0.0555755 0.0526937 0.0490387 0.0444545 0.0387517 0.0316981 0.0230085 0.0123306 -0.000773361 -0.0168503 -0.0365881 -0.0608571 -0.0907668 -0.127743 -0.173632 -0.230845 -0.302567 -0.393036 -0.507971 -0.655171 -0.845454 -1.09411 -1.42352 -1.86863 -2.49193 -3.43831 -5.19817 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 7.411140390594778e-21 9.883427110987499e-21 9.73455285815622e-21 9.53456917070034e-21 9.262535600013479e-21 8.904176752286699e-21 8.44246148990058e-21 7.85686593017358e-21 7.122396117615299e-21 6.20870682677778e-21 5.07859551621954e-21 3.6863681083389e-21 1.97557992032004e-21 -1.239060923846874e-22 -2.6997156935890195e-21 -5.862059890245539e-21 -9.75038236330014e-21 -1.4542444610295118e-20 -2.04666849757062e-20 -2.78189133314688e-20 -3.6985446507573e-20 -4.8476577761947793e-20 -6.29713095520824e-20 -8.138592669496138e-20 -1.0496996674744139e-19 -1.354566643921836e-19 -1.7529574770257398e-19 -2.2807304820316795e-19 -2.99387532359142e-19 -3.9925120195636196e-19 -5.508779942448539e-19 -8.32838651355978e-19 ] } }