{ "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" [ 8.49441 7.925253 7.572512 7.316228 7.114819 6.948881 6.80777 6.685017 6.576389 6.478968 6.390657 6.309897 6.235498 6.16653 6.102254 6.042072 5.985494 5.932112 5.881585 5.833622 5.787976 5.744433 5.702809 5.66294 5.622635 5.5811 5.538258 5.494024 5.448305 5.400997 5.351986 5.301145 5.248333 5.193388 5.136133 5.076365 5.013852 4.94833 4.879496 4.806995 4.730417 4.649273 4.562986 4.470859 4.372043 4.265491 4.149888 4.023551 3.884283 3.729131 3.554 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.49441e-10 7.925253e-10 7.572512e-10 7.316228e-10 7.114819e-10 6.948881000000001e-10 6.80777e-10 6.685017e-10 6.576389e-10 6.478968e-10 6.390657e-10 6.309897e-10 6.235498e-10 6.16653e-10 6.102254000000001e-10 6.042072000000001e-10 5.985494e-10 5.932112e-10 5.881585e-10 5.833622e-10 5.787976e-10 5.744433000000001e-10 5.702809e-10 5.66294e-10 5.622635e-10 5.5811e-10 5.538258e-10 5.494024e-10 5.448305e-10 5.400997e-10 5.351986e-10 5.301145e-10 5.248333e-10 5.193388e-10 5.136133000000001e-10 5.076365e-10 5.013852e-10 4.948330000000001e-10 4.879495999999999e-10 4.806995e-10 4.730417e-10 4.6492730000000003e-10 4.5629860000000004e-10 4.470859e-10 4.372043e-10 4.265491e-10 4.149888e-10 4.0235510000000003e-10 3.884283e-10 3.729131e-10 3.554e-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" [ 0.894063 1.13354 1.32673 1.52551 1.73895 1.93759 2.10095 2.23097 2.33706 2.42742 2.50775 2.58158 2.6508 2.71593 2.77652 2.83159 2.88015 2.92152 2.95545 2.98209 3.00181 3.01515 3.02272 3.02511 3.02266 3.01502 3.00174 2.98241 2.95656 2.9238 2.88372 2.83594 2.7801 2.71583 2.64279 2.56074 2.46798 2.35675 2.22131 2.05523 1.85132 1.60092 1.29193 0.90639 0.42017 -0.196528 -0.984835 -2.01985 -3.44245 -5.48124 -8.51218 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.432446847923942e-19 1.8161313017043599e-19 2.1256558056268199e-19 2.4441364769333395e-19 2.7861050576943e-19 3.1043614242720595e-19 3.3660929992023e-19 3.57440800515498e-19 3.74438292425604e-19 3.88915560490428e-19 4.0178584539135e-19 4.1361471548017203e-19 4.2470498214071995e-19 4.35139958557962e-19 4.44847546783368e-19 4.5367073350680595e-19 4.6145090324151e-19 4.68079107976368e-19 4.735152932955299e-19 4.77783491848506e-19 4.809429841707539e-19 4.8308028780051e-19 4.842931355124479e-19 4.84676055727974e-19 4.84283522452644e-19 4.830594595042679e-19 4.80931768934316e-19 4.778347615007939e-19 4.73693134901904e-19 4.6844440424892e-19 4.620228802998479e-19 4.543676803425959e-19 4.454211260183399e-19 4.351239367916219e-19 4.23421638656886e-19 4.10275779374916e-19 3.9541398891793196e-19 3.7759297821794997e-19 3.5589309788705397e-19 3.2928414834958195e-19 2.96614164605688e-19 2.5649566169032795e-19 2.06990005876362e-19 1.4521968792912598e-19 6.731865563077799e-20 -3.14872569526752e-20 -1.57787962534539e-19 -3.2361564741848995e-19 -5.5154129537133e-19 -8.781914653346159e-19 -1.363801590040212e-18 ] } }