{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.02537 8.420636 8.045846 7.773542 7.559543 7.383232 7.233302 7.102875 6.987457 6.883946 6.790115 6.704307 6.625257 6.551978 6.483685 6.419741 6.359626 6.302908 6.249222 6.198261 6.149762 6.103497 6.059271 6.01691 5.988072 5.957721 5.92569 5.891781 5.855761 5.81735 5.776206 5.731912 5.683945 5.631639 5.574132 5.510273 5.438484 5.35651 5.260978 5.146495 5.003636 4.81353 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.02537e-10 8.420636e-10 8.045845999999999e-10 7.773542e-10 7.559543e-10 7.383232e-10 7.233302000000001e-10 7.102875000000001e-10 6.987457000000001e-10 6.883946000000001e-10 6.790115000000001e-10 6.704307e-10 6.625257000000001e-10 6.551978e-10 6.483685e-10 6.419741000000001e-10 6.359625999999999e-10 6.302908e-10 6.249222e-10 6.198261e-10 6.149762e-10 6.103497e-10 6.059271e-10 6.01691e-10 5.988072e-10 5.957721e-10 5.92569e-10 5.891781e-10 5.855761000000001e-10 5.817350000000001e-10 5.776206e-10 5.731912e-10 5.683945e-10 5.631639e-10 5.574132e-10 5.510273e-10 5.438484e-10 5.35651e-10 5.260978e-10 5.146495e-10 5.003636e-10 4.81353e-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" [ 0.305514 0.581603 0.870831 1.16408 1.45375 1.73077 1.98534 2.20694 2.38441 2.51394 2.60222 2.65593 2.68265 2.68963 2.68551 2.67911 2.67954 2.68667 2.69697 2.709 2.72122 2.73264 2.74045 2.74345 2.74241 2.7401 2.73633 2.73071 2.72277 2.71186 2.69713 2.67747 2.65165 2.61769 2.57265 2.51232 2.43136 2.31735 2.15322 1.90517 1.50299 0.765564 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.8948738812709124e-20 9.318307291871425e-20 1.395225068867885e-19 1.865061760740864e-19 2.3291642624880003e-19 2.772999229982016e-19 3.180865332339072e-19 3.535907671508352e-19 3.820245956401728e-19 4.027775894093952e-19 4.1692160461781764e-19 4.2552689524813446e-19 4.2980791117891205e-19 4.3092623046023046e-19 4.302661336924608e-19 4.2924074065514884e-19 4.293096342498432e-19 4.3045198618047363e-19 4.321022280998976e-19 4.340296465747201e-19 4.359875064053377e-19 4.378171921062912e-19 4.390684920471361e-19 4.395491450333761e-19 4.393825186648128e-19 4.39012415865408e-19 4.384083952793665e-19 4.375079720184768e-19 4.362358437815617e-19 4.344878690882689e-19 4.3212786292583044e-19 4.289779836893376e-19 4.2484116365443203e-19 4.194001718501952e-19 4.1218396835011203e-19 4.025180367968256e-19 3.8954681487482887e-19 3.7128039922108797e-19 3.4498387434389765e-19 3.052418832649536e-19 2.408055439296192e-19 1.2265687425261312e-19 ] } }