{ "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" [ "Fe" "Fe" ] } "a" { "source-value" [ 4.27536 3.988895 3.811356 3.682364 3.580992 3.497473 3.42645 3.364666 3.309992 3.260959 3.216511 3.175863 3.138417 3.103704 3.071353 3.041063 3.012586 2.985718 2.960287 2.936147 2.913173 2.891257 2.870307 2.85024 2.836579 2.822202 2.807028 2.790965 2.773903 2.755707 2.736217 2.715234 2.692512 2.667734 2.640493 2.610242 2.576235 2.537404 2.492149 2.437918 2.370245 2.28019 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.27536e-10 3.988895e-10 3.8113560000000003e-10 3.6823640000000005e-10 3.5809920000000004e-10 3.4974729999999997e-10 3.42645e-10 3.3646660000000003e-10 3.309992e-10 3.2609590000000003e-10 3.216511e-10 3.1758630000000005e-10 3.138417e-10 3.103704e-10 3.0713530000000004e-10 3.041063e-10 3.012586e-10 2.985718e-10 2.960287e-10 2.9361470000000003e-10 2.913173e-10 2.891257e-10 2.870307e-10 2.85024e-10 2.836579e-10 2.822202e-10 2.807028e-10 2.790965e-10 2.773903e-10 2.7557070000000003e-10 2.736217e-10 2.715234e-10 2.692512e-10 2.667734e-10 2.640493e-10 2.610242e-10 2.576235e-10 2.537404e-10 2.492149e-10 2.437918e-10 2.370245e-10 2.2801900000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.06529 1.68719 2.12356 2.44105 2.70746 2.93524 3.13232 3.30412 3.45459 3.5867 3.70276 3.80462 3.89377 3.97147 4.03875 4.09651 4.14551 4.18642 4.2198 4.24618 4.266 4.27969 4.28772 4.29034 4.28907 4.28489 4.27714 4.26502 4.24748 4.22317 4.19033 4.14662 4.08881 4.01245 3.91114 3.77547 3.59102 3.33462 2.96666 2.41376 1.52348 -0.0806673 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.70678274643386e-19 2.7031763951184596e-19 3.4023182128970396e-19 3.9109932724257e-19 4.33782914948964e-19 4.702772943182159e-19 5.01852991421088e-19 5.29378385993208e-19 5.53486337805006e-19 5.7465269331678e-19 5.93247555330984e-19 6.095673265249079e-19 6.23850731217018e-19 6.36299643663198e-19 6.4707908805675e-19 6.56333260294734e-19 6.641839258013339e-19 6.707384304110279e-19 6.760864960153199e-19 6.803130379758119e-19 6.834885520644e-19 6.85681931876346e-19 6.86968479713448e-19 6.873882499915559e-19 6.871847735590379e-19 6.865150637260259e-19 6.852733768346759e-19 6.833315387542679e-19 6.805213209382321e-19 6.766264295409779e-19 6.71364881474922e-19 6.64361767407708e-19 6.550995842865539e-19 6.4286536350933e-19 6.266337120302759e-19 6.04896981636798e-19 5.75344833622668e-19 5.34265024726908e-19 4.75311333302244e-19 3.8672698720838396e-19 2.4408840583663197e-19 -1.2924326318786818e-20 ] } }