{ "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" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" ] } "a" { "source-value" [ 10.647 9.933608 9.491476 9.170243 8.917793 8.709803 8.532933 8.379071 8.242914 8.120806 8.010115 7.908889 7.815635 7.729189 7.648625 7.573192 7.502275 7.435366 7.372034 7.311916 7.254703 7.200126 7.147952 7.09798 7.06396 7.028156 6.990369 6.950368 6.907876 6.862563 6.814027 6.761775 6.705189 6.643485 6.575645 6.500312 6.415623 6.318921 6.206224 6.071171 5.902644 5.67838 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0647e-09 9.933608e-10 9.491476e-10 9.170242999999999e-10 8.917793e-10 8.709803000000001e-10 8.532933e-10 8.379071e-10 8.242914000000001e-10 8.120806e-10 8.010115000000001e-10 7.908889e-10 7.815635e-10 7.729189e-10 7.648625000000001e-10 7.573192e-10 7.502275e-10 7.435366000000001e-10 7.372034e-10 7.311916e-10 7.254703000000001e-10 7.200126e-10 7.147952000000001e-10 7.09798e-10 7.06396e-10 7.028156e-10 6.990369e-10 6.950368e-10 6.907876e-10 6.862563e-10 6.814027000000001e-10 6.761775000000001e-10 6.705189e-10 6.643485e-10 6.575645e-10 6.500312e-10 6.415623e-10 6.318921e-10 6.206224e-10 6.071171e-10 5.902643999999999e-10 5.67838e-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" [ 0.277757 0.36852 0.432566 0.481794 0.521423 0.554252 0.581963 0.605778 0.626271 0.644029 0.659471 0.672906 0.684581 0.694692 0.703402 0.710844 0.717134 0.722368 0.726629 0.729989 0.732514 0.734258 0.735273 0.735602 0.735443 0.734925 0.733966 0.732468 0.730305 0.727312 0.723274 0.717905 0.710817 0.70147 0.689095 0.67256 0.650138 0.619061 0.574613 0.508088 0.401482 0.210586 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.4501577532993796e-20 5.9043413316168e-20 6.930471378628439e-20 7.71919089201396e-20 8.354117470301819e-20 8.880096037477679e-20 9.32407520452542e-20 9.70563356991252e-20 1.003396762751814e-19 1.0318482154183859e-19 1.056589027000614e-19 1.078114270078404e-19 1.096819682280354e-19 1.1130192902267278e-19 1.126974248708868e-19 1.138897647219096e-19 1.1489753382469561e-19 1.157361130749312e-19 1.1641880053867858e-19 1.1695713188770258e-19 1.1736168148778758e-19 1.176411010927572e-19 1.1780372202110819e-19 1.178564336323668e-19 1.1783095902388619e-19 1.17747966274245e-19 1.175943175350444e-19 1.1735431147527119e-19 1.1700776066933698e-19 1.1652822920278078e-19 1.1588127027797158e-19 1.1502106164317699e-19 1.138854388449978e-19 1.12387884345198e-19 1.10405190760623e-19 1.07755991696304e-19 1.041635912475492e-19 9.918450692206739e-20 9.20631522192642e-20 8.14046721615792e-20 6.432450793715879e-20 3.3739596864752394e-20 ] } }