{ "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" [ 4.29 4.002554 3.824407 3.694973 3.593254 3.509449 3.438183 3.376188 3.321326 3.272125 3.227525 3.186738 3.149163 3.114332 3.08187 3.051476 3.022902 2.995942 2.970424 2.946201 2.923148 2.901157 2.880135 2.86 2.846292 2.831866 2.81664 2.800523 2.783401 2.765143 2.745587 2.724533 2.701732 2.67687 2.649535 2.619181 2.585058 2.546093 2.500684 2.446268 2.378363 2.288 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.29e-10 4.002554e-10 3.824407e-10 3.6949730000000003e-10 3.593254e-10 3.5094490000000004e-10 3.4381830000000003e-10 3.376188e-10 3.321326e-10 3.272125e-10 3.227525e-10 3.186738e-10 3.1491630000000005e-10 3.114332e-10 3.08187e-10 3.0514760000000004e-10 3.022902e-10 2.995942e-10 2.9704240000000003e-10 2.946201e-10 2.923148e-10 2.901157e-10 2.880135e-10 2.86e-10 2.8462920000000003e-10 2.8318660000000003e-10 2.81664e-10 2.8005230000000004e-10 2.783401e-10 2.7651430000000004e-10 2.7455870000000003e-10 2.7245330000000004e-10 2.701732e-10 2.67687e-10 2.6495350000000003e-10 2.6191810000000003e-10 2.585058e-10 2.546093e-10 2.500684e-10 2.446268e-10 2.378363e-10 2.288e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.633436 1.44536 1.97767 2.35418 2.6604 2.93758 3.19526 3.42114 3.60799 3.75526 3.86849 3.95489 4.02066 4.07193 4.11323 4.14779 4.17794 4.20458 4.22741 4.24621 4.26088 4.2714 4.2779 4.28029 4.27897 4.2743 4.26507 4.24968 4.22604 4.1914 4.14218 4.07387 3.98039 3.85235 3.67471 3.42475 3.0671 2.54425 1.75739 0.513675 -1.61356 -5.7669 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0148763499730688e-19 2.315722000639488e-19 3.1685766376575363e-19 3.771812157154944e-19 4.2624306819763206e-19 4.706521997729665e-19 5.119370869377409e-19 5.481270524483712e-19 5.780637226080193e-19 6.016589777025408e-19 6.198004235798592e-19 6.336432295835712e-19 6.4418074521857285e-19 6.523951047534144e-19 6.590120941973184e-19 6.645492165988032e-19 6.693797791105153e-19 6.736479776283264e-19 6.773057468536128e-19 6.803178389007167e-19 6.826682320034305e-19 6.843537218085121e-19 6.85395136612032e-19 6.8577805682440325e-19 6.855665695104577e-19 6.848183530285441e-19 6.833395440075456e-19 6.808737941881344e-19 6.770862486565632e-19 6.71536308842112e-19 6.636503955145344e-19 6.527059270178497e-19 6.377287799666112e-19 6.17214510513888e-19 5.887534450219968e-19 5.487054382084801e-19 4.91403591365568e-19 4.0763378674704e-19 2.8156491716277122e-19 8.2299807568944e-20 -2.5852081082580485e-19 -9.23959235449152e-19 ] } }