{ "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" [ 4.30241 4.014132 3.835469 3.70566 3.603647 3.519599 3.448127 3.385952 3.330932 3.281588 3.236859 3.195954 3.158271 3.123338 3.090783 3.0603 3.031644 3.004606 2.979014 2.954721 2.931601 2.909546 2.888464 2.86827 2.854523 2.840055 2.824785 2.808621 2.79145 2.77314 2.753527 2.732412 2.709546 2.684612 2.657198 2.626757 2.592535 2.553458 2.507918 2.453344 2.385244 2.29462 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30241e-10 4.014132e-10 3.835469e-10 3.70566e-10 3.6036470000000003e-10 3.519599e-10 3.448127e-10 3.385952e-10 3.3309319999999997e-10 3.281588e-10 3.236859e-10 3.195954e-10 3.1582710000000004e-10 3.123338e-10 3.090783e-10 3.0603e-10 3.031644e-10 3.004606e-10 2.979014e-10 2.954721e-10 2.9316010000000003e-10 2.9095460000000003e-10 2.888464e-10 2.86827e-10 2.854523e-10 2.840055e-10 2.824785e-10 2.808621e-10 2.79145e-10 2.7731400000000003e-10 2.753527e-10 2.732412e-10 2.709546e-10 2.684612e-10 2.6571980000000003e-10 2.626757e-10 2.592535e-10 2.553458e-10 2.507918e-10 2.4533440000000003e-10 2.3852440000000003e-10 2.2946200000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.910164 1.3981 1.75436 2.02767 2.24565 2.42823 2.58494 2.72079 2.83948 2.9438 3.03554 3.11569 3.18514 3.24502 3.2966 3.34102 3.37905 3.41116 3.43767 3.4588 3.47481 3.48592 3.4924 3.49449 3.49348 3.49013 3.48388 3.47401 3.4596 3.43944 3.41193 3.37488 3.3253 3.25887 3.16931 3.04706 2.87709 2.63452 2.27536 1.71319 0.752781 -1.11379 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4582434939079758e-19 2.2400031519953995e-19 2.8107945996242395e-19 3.24868549546278e-19 3.5979279581420995e-19 3.89045336797782e-19 4.1415304682919595e-19 4.35918616402086e-19 4.54934850871032e-19 4.716487575169199e-19 4.86347125957236e-19 4.991885716787459e-19 5.10315688401876e-19 5.199095220862679e-19 5.2817354916444e-19 5.352904177726679e-19 5.413834955117699e-19 5.4652808468354395e-19 5.507754549402779e-19 5.5416085416791995e-19 5.56725938958954e-19 5.58505957199328e-19 5.5954416765816e-19 5.59879022574666e-19 5.597172027346319e-19 5.59180473562242e-19 5.581791131659919e-19 5.56597764828234e-19 5.5428902829864e-19 5.510590402044959e-19 5.46651452284362e-19 5.4071538785539195e-19 5.3277179610401995e-19 5.221285367243579e-19 5.07779442790254e-19 4.88192833439604e-19 4.60960637191506e-19 4.22096638580568e-19 3.64552862593824e-19 2.74483298760246e-19 1.206088128719154e-19 -1.78448831318286e-19 ] } }