{ "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" [ 4.344 4.052936 3.872546 3.741483 3.638484 3.553624 3.481461 3.418685 3.363133 3.313313 3.268151 3.226851 3.188803 3.153533 3.120663 3.089886 3.060953 3.033653 3.007814 2.983286 2.959943 2.937675 2.916389 2.896 2.875388 2.854147 2.832238 2.809617 2.786237 2.762044 2.73698 2.71098 2.683972 2.655873 2.626594 2.596028 2.564059 2.530552 2.49535 2.458274 2.419112 2.377616 2.333489 2.286375 2.235841 2.181351 2.122232 2.057625 1.986404 1.90706 1.817498 1.714693 1.594037 1.448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3440000000000007e-10 4.052936e-10 3.872546e-10 3.741483e-10 3.638484e-10 3.5536240000000004e-10 3.481461e-10 3.418685e-10 3.363133e-10 3.313313e-10 3.268151e-10 3.226851e-10 3.1888030000000003e-10 3.153533e-10 3.120663e-10 3.089886e-10 3.060953e-10 3.033653e-10 3.0078140000000005e-10 2.983286e-10 2.959943e-10 2.937675e-10 2.916389e-10 2.896e-10 2.875388e-10 2.8541470000000005e-10 2.832238e-10 2.809617e-10 2.786237e-10 2.762044e-10 2.7369800000000003e-10 2.71098e-10 2.683972e-10 2.6558730000000003e-10 2.626594e-10 2.5960280000000003e-10 2.564059e-10 2.530552e-10 2.49535e-10 2.458274e-10 2.419112e-10 2.377616e-10 2.3334890000000004e-10 2.286375e-10 2.2358410000000003e-10 2.181351e-10 2.122232e-10 2.057625e-10 1.9864040000000002e-10 1.90706e-10 1.817498e-10 1.7146930000000001e-10 1.594037e-10 1.448e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.0481 1.3285 1.53924 1.71599 1.88739 2.05606 2.21439 2.3538 2.47304 2.57746 2.67015 2.7529 2.82737 2.89503 2.95715 3.01449 3.06696 3.11377 3.1537 3.18571 3.2094 3.22507 3.23358 3.23612 3.23396 3.22818 3.21768 3.20022 3.17408 3.13754 3.08881 3.02568 2.9454 2.84442 2.71839 2.56173 2.36716 2.12564 1.8267 1.45891 1.00918 0.459532 -0.229163 -1.1601 -2.56938 -4.95029 -9.30544 -17.7755 -34.4607 -69.7981 -153.699 -382.768 -1146.07 -4602.2 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6792413300953998e-19 2.1284916582689998e-19 2.46613436211816e-19 2.7493190821776596e-19 3.0239321572452594e-19 3.29417129010204e-19 3.5478439165632597e-19 3.7712033611092e-19 3.96224690294736e-19 4.1295461870696395e-19 4.2780519392750997e-19 4.4106320557386e-19 4.52994614967258e-19 4.63834942072902e-19 4.7378766332331e-19 4.82974544142666e-19 4.91381164941264e-19 4.98880953765018e-19 5.0527844506458e-19 5.104070124700139e-19 5.142025689159599e-19 5.16713179701438e-19 5.18076632016972e-19 5.184835848820079e-19 5.18137514729064e-19 5.17211456634612e-19 5.15529171168912e-19 5.12731770765948e-19 5.085436810446719e-19 5.026893276240359e-19 4.94881920886554e-19 4.84767379796112e-19 4.7190510577836e-19 4.55726326128228e-19 4.35534094009926e-19 4.1043439486168196e-19 3.79260844093944e-19 3.40565074029576e-19 2.9266960573277997e-19 2.33743151310894e-19 1.6168846155001199e-19 7.362514329752879e-20 -3.6715960397734196e-20 -1.8586851131033998e-19 -4.11660059986692e-19 -7.93123896952386e-19 -1.490895853708896e-18 -2.8479490757667e-18 -5.52121283312838e-18 -1.118288849175954e-17 -2.46252946469166e-17 -6.132619458429119e-17 -1.8362065749283798e-16 -7.3735373049948e-16 ] } }