{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.73368 9.081487 8.677285 8.38361 8.152817 7.962669 7.800973 7.66031 7.535834 7.4242 7.323006 7.230463 7.14521 7.06618 6.992526 6.923565 6.858732 6.797562 6.739664 6.684703 6.632398 6.582503 6.534805 6.48912 6.458019 6.425286 6.390741 6.354171 6.315324 6.273898 6.229526 6.181756 6.130024 6.073614 6.011593 5.942723 5.865299 5.776892 5.673863 5.550396 5.396326 5.1913 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.73368e-10 9.081486999999999e-10 8.677285e-10 8.383609999999999e-10 8.152817000000001e-10 7.962669e-10 7.800973e-10 7.66031e-10 7.535834e-10 7.4242e-10 7.323006e-10 7.230463000000001e-10 7.14521e-10 7.066180000000001e-10 6.992526e-10 6.923565e-10 6.858732e-10 6.797562000000001e-10 6.739664000000001e-10 6.684703e-10 6.632398e-10 6.582503000000001e-10 6.534805000000001e-10 6.48912e-10 6.458019000000001e-10 6.425286e-10 6.390741e-10 6.354171000000001e-10 6.315324e-10 6.273898e-10 6.229526e-10 6.181756000000001e-10 6.130024e-10 6.073614e-10 6.011593000000001e-10 5.942723000000001e-10 5.865299e-10 5.776892000000001e-10 5.673863e-10 5.550396000000001e-10 5.396326e-10 5.1913e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.879481 1.25307 1.53913 1.7722 1.96813 2.13591 2.28124 2.40808 2.51929 2.61701 2.70294 2.77842 2.84454 2.90222 2.95221 2.99516 3.03164 3.06212 3.08704 3.10677 3.12164 3.13194 3.13795 3.1399 3.13896 3.13587 3.13014 3.12117 3.10819 3.0902 3.06588 3.03346 2.99056 2.93385 2.85855 2.75764 2.62036 2.42938 2.15511 1.74265 1.07784 -0.121471 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4090838966378048e-19 2.007639458225856e-19 2.465958102371904e-19 2.8393774073817603e-19 3.153291872695104e-19 3.4221050661329284e-19 3.654949394433792e-19 3.8581694770160644e-19 4.036347539015232e-19 4.1929122383998084e-19 4.330587275425152e-19 4.451519566763136e-19 4.557455484930432e-19 4.649869032418176e-19 4.729961841691968e-19 4.798775327555328e-19 4.857222730682113e-19 4.906057074084097e-19 4.945983315474432e-19 4.977594260202817e-19 5.001418626554112e-19 5.017921045748353e-19 5.027550127239361e-19 5.03067437164992e-19 5.029168325626368e-19 5.024217599868097e-19 5.015037127830912e-19 5.000665603542336e-19 4.979869351004352e-19 4.95104619359616e-19 4.912081258178304e-19 4.860138692131968e-19 4.791405315099648e-19 4.70054587893408e-19 4.579901979387841e-19 4.418226336582912e-19 4.198279530079488e-19 3.8922958390391043e-19 3.4528668572522884e-19 2.79203308823712e-19 1.726890048963072e-19 -1.946179963051968e-20 ] } }