{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "C" "C" ] } "a" { "source-value" [ 3.28375 3.063727 2.927366 2.828292 2.750432 2.686284 2.631735 2.584281 2.542288 2.504627 2.470488 2.439268 2.410507 2.383846 2.358998 2.335734 2.313862 2.293226 2.273693 2.255152 2.237506 2.220673 2.204582 2.18917 2.173589 2.157532 2.14097 2.12387 2.106196 2.087908 2.068961 2.049307 2.028891 2.007651 1.985517 1.962412 1.938245 1.912916 1.886306 1.858279 1.828675 1.797307 1.76395 1.728335 1.690135 1.648944 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.28375e-10 3.0637270000000003e-10 2.927366e-10 2.828292e-10 2.750432e-10 2.6862840000000004e-10 2.631735e-10 2.5842809999999997e-10 2.5422880000000004e-10 2.504627e-10 2.470488e-10 2.439268e-10 2.4105070000000003e-10 2.3838460000000003e-10 2.358998e-10 2.335734e-10 2.313862e-10 2.2932260000000002e-10 2.2736930000000002e-10 2.2551519999999998e-10 2.2375060000000004e-10 2.220673e-10 2.204582e-10 2.1891699999999998e-10 2.1735890000000002e-10 2.157532e-10 2.14097e-10 2.1238700000000003e-10 2.1061960000000002e-10 2.087908e-10 2.068961e-10 2.0493070000000003e-10 2.0288909999999998e-10 2.007651e-10 1.985517e-10 1.962412e-10 1.938245e-10 1.912916e-10 1.886306e-10 1.858279e-10 1.8286750000000002e-10 1.797307e-10 1.76395e-10 1.728335e-10 1.690135e-10 1.648944e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00917017 0.0161795 0.0226585 0.028593 0.0339739 0.0387959 0.0430529 0.0463511 0.0473572 0.0472693 0.0471093 0.0474691 0.0486114 0.0505442 0.053076 0.0558581 0.0585476 0.125654 0.378747 0.788338 1.26751 1.78959 2.36447 2.88104 1.82289 0.440128 -2.21021 -3.21998 -2.89402 -2.62101 -2.41718 -2.29908 -2.28556 -2.40225 -2.76933 -3.76968 -5.46088 -7.82774 -10.9541 -14.9467 -19.9045 -25.8447 -32.6125 -39.8287 -47.0243 -55.62 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.469223210380778e-21 2.5922416849802997e-21 3.6302919261489e-21 4.5811036495962e-21 5.4432188745852596e-21 6.2157884475000596e-21 6.89783504059386e-21 7.426264938019739e-21 7.58745992916648e-21 7.57337679655362e-21 7.54774197040962e-21 7.605388285700939e-21 7.788404922602759e-21 8.09807362242228e-21 8.5037127026184e-21 8.94945426396354e-21 9.38035966967784e-21 2.0131990276863597e-20 6.06819593597598e-20 1.263056723294292e-19 2.0307749053613397e-19 2.8672392824400596e-19 3.7882985857939795e-19 4.615934969619359e-19 2.9205917643522597e-19 7.051627975691519e-20 -3.54114681823314e-19 -5.15897671794732e-19 -4.63673122232868e-19 -4.19932097948034e-19 -3.87274931617212e-19 -3.6835322556967197e-19 -3.6618708276050393e-19 -3.8488288190264997e-19 -4.43695581783522e-19 -6.03969321365712e-19 -8.74929433707792e-19 -1.2541422125027159e-18 -1.75504030664994e-18 -2.3947253495407798e-18 -3.1890524811452995e-18 -4.140777445273979e-18 -5.225098547632499e-18 -6.381261250259579e-18 -7.53412346902062e-18 -8.911306438307999e-18 ] } }