{ "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" [ "Fr" "Fr" "Fr" "Fr" "Fr" "Fr" "Fr" "Fr" ] } "a" { "source-value" [ 17.3453 16.183094 15.462805 14.939477 14.528205 14.189362 13.901219 13.650558 13.428742 13.229811 13.049483 12.884572 12.73265 12.591819 12.460569 12.337679 12.222148 12.113144 12.009968 11.912029 11.818821 11.729908 11.644911 11.5635 11.508078 11.449748 11.388189 11.323022 11.253798 11.179978 11.100907 11.015781 10.923595 10.823072 10.712553 10.589827 10.451859 10.294319 10.110721 9.890705 9.616154 9.2508 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.7345300000000002e-09 1.6183094000000002e-09 1.5462805e-09 1.4939477e-09 1.4528205000000001e-09 1.4189361999999999e-09 1.3901219e-09 1.3650558000000001e-09 1.3428742e-09 1.3229811e-09 1.3049483e-09 1.2884572e-09 1.273265e-09 1.2591819e-09 1.2460569e-09 1.2337679e-09 1.2222148000000001e-09 1.2113144e-09 1.2009968000000001e-09 1.1912029e-09 1.1818821000000001e-09 1.1729908e-09 1.1644911000000001e-09 1.15635e-09 1.1508078e-09 1.1449748e-09 1.1388189e-09 1.1323022e-09 1.1253798e-09 1.1179978e-09 1.1100907e-09 1.1015781e-09 1.0923595000000002e-09 1.0823072e-09 1.0712553e-09 1.0589827e-09 1.0451859000000001e-09 1.0294319e-09 1.0110721e-09 9.890705000000001e-10 9.616154e-10 9.2508e-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" [ 0.187604 0.281209 0.363476 0.438876 0.509354 0.575375 0.637657 0.696202 0.751196 0.802748 0.850973 0.895966 0.937603 0.975867 1.01087 1.04256 1.07076 1.0954 1.11642 1.13375 1.14733 1.15707 1.16307 1.16509 1.16408 1.16065 1.15412 1.14358 1.12786 1.10529 1.07354 1.02935 0.968041 0.88263 0.762412 0.590394 0.337923 -0.0456061 -0.65774 -1.70671 -3.7059 -8.25881 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.005747427685632e-20 4.5054648535854723e-20 5.823527494219009e-20 7.031568666302208e-20 8.160750705109633e-20 9.218523731928e-20 1.0216391374894657e-19 1.1154385677542017e-19 1.2035486688384767e-19 1.2861440779939584e-19 1.3634090455320385e-19 1.435495778231693e-19 1.5022056061919424e-19 1.5635112924102338e-19 1.619592280668096e-19 1.670365257781248e-19 1.715546638487808e-19 1.75502427042432e-19 1.7887020229935361e-19 1.816467743832e-19 1.838225302342464e-19 1.8538305026290561e-19 1.8634435623538563e-19 1.866679959127872e-19 1.865061760740864e-19 1.85956629493152e-19 1.849104081597696e-19 1.8322171400144642e-19 1.8070309235354882e-19 1.7708697972040322e-19 1.720000689493632e-19 1.64920050462048e-19 1.550972658175853e-19 1.414129150816704e-19 1.2215186818173697e-19 9.459154638605952e-20 5.4141233023059836e-20 -7.306902718586688e-21 -1.053815650564992e-19 -2.7344508604855683e-19 -5.937506339022721e-19 -1.323207229762925e-18 ] } }