{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.75328 7.233781 6.911816 6.677892 6.494055 6.342595 6.213796 6.101753 6.002602 5.913681 5.833075 5.759361 5.691453 5.628503 5.569835 5.514904 5.463262 5.414537 5.368419 5.32464 5.282977 5.243233 5.20524 5.16885 5.144076 5.118003 5.090487 5.061357 5.030414 4.997417 4.962072 4.924021 4.882814 4.837881 4.788479 4.733621 4.67195 4.60153 4.519462 4.421116 4.298392 4.13508 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.75328e-10 7.233781e-10 6.911816e-10 6.677892e-10 6.494055e-10 6.342595000000001e-10 6.213796000000001e-10 6.101753000000001e-10 6.002602e-10 5.913681000000001e-10 5.833075000000001e-10 5.759361000000001e-10 5.691453e-10 5.628503000000001e-10 5.569835000000001e-10 5.514903999999999e-10 5.463262e-10 5.414537000000001e-10 5.368419000000001e-10 5.32464e-10 5.282977e-10 5.243233e-10 5.20524e-10 5.16885e-10 5.144076e-10 5.118003e-10 5.090487e-10 5.061357e-10 5.030414000000001e-10 4.997417000000001e-10 4.962072e-10 4.924021e-10 4.882814e-10 4.837881000000001e-10 4.788479e-10 4.733621000000001e-10 4.67195e-10 4.6015300000000003e-10 4.519462e-10 4.421116e-10 4.298392e-10 4.1350800000000004e-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" [ 0.741743 1.04958 1.29387 1.51002 1.71844 1.91909 2.10011 2.25566 2.38782 2.50111 2.59959 2.68639 2.76378 2.83333 2.89598 2.95215 3.00182 3.0448 3.08086 3.1099 3.13196 3.14728 3.15618 3.15905 3.15768 3.15323 3.14511 3.13256 3.11469 3.09039 3.05828 3.01659 2.96309 2.89487 2.80814 2.69758 2.55417 2.36292 2.09767 1.70787 1.08618 -0.0296656 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.1884032932420546e-19 1.681612537659264e-19 2.0730082643544962e-19 2.419318740940416e-19 2.753244392247552e-19 3.0747211312110723e-19 3.364747143108288e-19 3.6139657164737284e-19 3.8257093786786564e-19 4.0072199680490886e-19 4.165002321665472e-19 4.304071252350912e-19 4.428063701034625e-19 4.539495085011265e-19 4.639871450304384e-19 4.72986571109472e-19 4.809445823849856e-19 4.87830737501184e-19 4.936081863957888e-19 4.98260907302592e-19 5.017953089280768e-19 5.042498435111424e-19 5.056757807036545e-19 5.061356053938241e-19 5.059161071967744e-19 5.052031386005184e-19 5.039021711844288e-19 5.018914395253248e-19 4.990283499039552e-19 4.951350607154113e-19 4.899904715860224e-19 4.833109972539072e-19 4.747393523326272e-19 4.638093034255296e-19 4.499136255933312e-19 4.321999608737664e-19 4.092231459548736e-19 3.785815180820736e-19 3.360837832153536e-19 2.7363093853656963e-19 1.740252201980544e-19 -4.752953076200448e-21 ] } }