{ "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" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" ] } "a" { "source-value" [ 11.9591 11.157799 10.661185 10.300369 10.016811 9.783191 9.584526 9.411704 9.25877 9.121614 8.997283 8.883583 8.778839 8.68174 8.591248 8.50652 8.426865 8.35171 8.280574 8.213049 8.148785 8.087482 8.02888 7.97275 7.934538 7.894321 7.851878 7.806947 7.759218 7.708321 7.653803 7.595111 7.531551 7.462243 7.386043 7.301426 7.206301 7.097681 6.971095 6.819399 6.630102 6.3782 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.19591e-09 1.1157799e-09 1.0661185e-09 1.0300369e-09 1.0016811000000001e-09 9.783191000000001e-10 9.584526000000001e-10 9.411704e-10 9.258770000000001e-10 9.121613999999999e-10 8.997283e-10 8.883583e-10 8.778839e-10 8.681739999999999e-10 8.591248e-10 8.506520000000001e-10 8.426864999999999e-10 8.351710000000001e-10 8.280574e-10 8.213049000000001e-10 8.148785e-10 8.087482e-10 8.02888e-10 7.97275e-10 7.934538000000001e-10 7.894321e-10 7.851878000000001e-10 7.806947000000001e-10 7.759218e-10 7.708321e-10 7.653803e-10 7.595111e-10 7.531551000000001e-10 7.462243000000001e-10 7.386043e-10 7.301426e-10 7.206301000000001e-10 7.097681e-10 6.971095e-10 6.819399e-10 6.630102e-10 6.3782e-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 0 0.490447 0.526755 0.555759 0.57964 0.599684 0.616722 0.631326 0.643911 0.654787 0.664193 0.672319 0.679316 0.685311 0.690407 0.694691 0.698239 0.701114 0.703371 0.705059 0.706221 0.706893 0.707111 0.707007 0.706666 0.706038 0.705061 0.703653 0.701711 0.699102 0.695646 0.691103 0.68514 0.677284 0.666847 0.652782 0.633423 0.605958 0.565242 0.509564 0.396722 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 7.85782723615398e-20 8.439545528426699e-20 8.904240839352059e-20 9.2868566413176e-20 9.60799692583656e-20 9.88097578073748e-20 1.011495765636684e-19 1.031659158575574e-19 1.049084431646958e-19 1.064154505066362e-19 1.077173792394246e-19 1.088384222302344e-19 1.097989271223174e-19 1.106153963350038e-19 1.1130176880500938e-19 1.118702210747526e-19 1.123308468570276e-19 1.1269245812332139e-19 1.1296290553914058e-19 1.1314907846401138e-19 1.132567447338162e-19 1.132916721844374e-19 1.132750095474438e-19 1.132203753242244e-19 1.131197586316092e-19 1.129632259744674e-19 1.127376395044002e-19 1.1242649680207738e-19 1.120084889182668e-19 1.114547766735564e-19 1.107269078287302e-19 1.09771529901876e-19 1.085128599382056e-19 1.0684066818529979e-19 1.0458720674957878e-19 1.0148555300381819e-19 9.70851748785372e-20 9.05617524955428e-20 8.16411534327576e-20 6.356187185937479e-20 ] } }