{ "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" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30524 4.016773 3.837993 3.708099 3.606019 3.521916 3.450397 3.388181 3.333125 3.283749 3.23899 3.198059 3.160351 3.125395 3.092818 3.062316 3.033641 3.006585 2.980976 2.956667 2.933532 2.911464 2.890367 2.87016 2.849732 2.828681 2.806967 2.784548 2.761376 2.737399 2.712559 2.686791 2.660024 2.632176 2.603157 2.572865 2.541181 2.507973 2.473085 2.43634 2.397527 2.356401 2.312668 2.265975 2.215892 2.161888 2.103296 2.039265 1.96868 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3052400000000006e-10 4.0167729999999997e-10 3.837993e-10 3.708099e-10 3.606019e-10 3.521916e-10 3.4503970000000004e-10 3.388181e-10 3.333125e-10 3.283749e-10 3.23899e-10 3.1980590000000004e-10 3.160351e-10 3.1253950000000004e-10 3.092818e-10 3.0623160000000003e-10 3.033641e-10 3.006585e-10 2.980976e-10 2.956667e-10 2.933532e-10 2.911464e-10 2.890367e-10 2.8701599999999997e-10 2.849732e-10 2.828681e-10 2.8069670000000006e-10 2.7845480000000004e-10 2.761376e-10 2.737399e-10 2.7125590000000004e-10 2.686791e-10 2.660024e-10 2.632176e-10 2.603157e-10 2.572865e-10 2.541181e-10 2.5079729999999997e-10 2.4730850000000004e-10 2.43634e-10 2.397527e-10 2.356401e-10 2.312668e-10 2.2659750000000003e-10 2.2158920000000004e-10 2.1618879999999998e-10 2.103296e-10 2.0392649999999998e-10 1.96868e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.900131 1.3472 1.68267 1.95111 2.17551 2.3667 2.53561 2.68448 2.81504 2.92997 3.03122 3.11876 3.1917 3.25487 3.30913 3.3553 3.39398 3.42572 3.45155 3.47404 3.49094 3.50263 3.50946 3.5117 3.50963 3.50284 3.48999 3.46996 3.44056 3.40071 3.349 3.28321 3.20076 3.09835 2.97211 2.81721 2.6275 2.39556 2.1103 1.75854 1.32602 0.79141 0.127198 -0.70404 -1.74651 -3.0676 -4.77251 -7.0068 -9.9783 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4421688557390538e-19 2.1584523613247998e-19 2.69593455673278e-19 3.12602285236374e-19 3.48555128903334e-19 3.7918714396877994e-19 4.0624950949367397e-19 4.30101113044032e-19 4.51019131177536e-19 4.69432947232098e-19 4.856549856513479e-19 4.99680439905384e-19 5.113667162737799e-19 5.214876660707579e-19 5.30181076486842e-19 5.3757832600602e-19 5.43775545226332e-19 5.488608538626479e-19 5.5299927610827e-19 5.566025713581359e-19 5.593102498695959e-19 5.611831943547419e-19 5.62277480995764e-19 5.6263636856178e-19 5.623047179985419e-19 5.6121684006405595e-19 5.59158043089366e-19 5.55948883291464e-19 5.51238483987504e-19 5.44853810101014e-19 5.365689547266e-19 5.260282346515139e-19 5.12818288304184e-19 4.964103973953899e-19 4.76184519567774e-19 4.51366803507114e-19 4.2097191058349997e-19 3.83811025734504e-19 3.3810733507302e-19 2.81749169795436e-19 2.1245182602166798e-19 1.2679786099139398e-19 2.0379366349153198e-20 -1.12799643740136e-19 -2.7982175130473397e-19 -4.9148370424584e-19 -7.646404007531338e-19 -1.1226131239111199e-18 -1.59869991070422e-18 ] } }