{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.364 9.669575 9.239198 8.926506 8.680769 8.478308 8.306141 8.15637 8.023833 7.904971 7.797224 7.698689 7.607914 7.523767 7.445344 7.371917 7.302886 7.237755 7.176107 7.117588 7.061896 7.00877 6.957984 6.90934 6.876224 6.841372 6.804589 6.765651 6.724289 6.68018 6.632934 6.58207 6.526988 6.466924 6.400887 6.327557 6.245119 6.150987 6.041285 5.909822 5.745774 5.52747 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0364e-09 9.669575e-10 9.239198e-10 8.926506e-10 8.680769e-10 8.478308e-10 8.306141000000001e-10 8.156370000000001e-10 8.023833e-10 7.904971e-10 7.797224e-10 7.698689e-10 7.607914e-10 7.523767e-10 7.445344000000001e-10 7.371917e-10 7.302886e-10 7.237755000000001e-10 7.176107e-10 7.117588e-10 7.061896e-10 7.00877e-10 6.957984e-10 6.90934e-10 6.876224e-10 6.841372e-10 6.804589e-10 6.765651000000001e-10 6.724289e-10 6.68018e-10 6.632934e-10 6.58207e-10 6.526988000000001e-10 6.466924e-10 6.400887e-10 6.327557e-10 6.245119e-10 6.150987e-10 6.041285e-10 5.909822e-10 5.745774e-10 5.527470000000001e-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" [ 0.0839197 0.172243 0.246252 0.309815 0.365097 0.413546 0.456215 0.493904 0.527245 0.556745 0.582819 0.605814 0.626022 0.643689 0.659031 0.672232 0.683455 0.692842 0.700519 0.706598 0.711185 0.714439 0.716311 0.716915 0.716624 0.715669 0.713902 0.711138 0.707137 0.701591 0.694097 0.684114 0.670909 0.653462 0.630315 0.599323 0.557202 0.49868 0.414761 0.29519 0.0929637 -0.270652 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3445418136454977e-20 2.759637076964544e-20 3.9453919722524165e-20 4.96378349773152e-20 5.849498777242177e-20 6.625737328253569e-20 7.30937007058272e-20 7.913214417196033e-20 8.44739612433696e-20 8.920038227472962e-20 9.337789759580352e-20 9.706210273533312e-20 1.0029978125064576e-19 1.0313034668661311e-19 1.0558840605824449e-19 1.0770343941536258e-19 1.0950156223688642e-19 1.1100552543083137e-19 1.1223551642261952e-19 1.1320947959040383e-19 1.139443980063648e-19 1.1446574627877313e-19 1.147656737421869e-19 1.148624452100832e-19 1.1481582187041793e-19 1.1466281400313154e-19 1.1437970939423617e-19 1.1393686777624706e-19 1.1329583691026497e-19 1.1240726975636927e-19 1.1120659859674177e-19 1.0960714567619712e-19 1.0749147144843072e-19 1.0469615389812096e-19 1.009875956739552e-19 9.602212989077186e-20 8.927360174630016e-20 7.989734372605441e-20 6.645203774196288e-20 4.7294651669395203e-20 1.4894426672306495e-20 -4.3363230677276164e-20 ] } }