{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.4225 5.059172 4.833997 4.670394 4.541823 4.435894 4.345815 4.267454 4.19811 4.13592 4.079546 4.027992 3.980499 3.936472 3.895441 3.857023 3.820906 3.786829 3.754574 3.723957 3.694818 3.667022 3.640451 3.615 3.597674 3.579439 3.560194 3.539821 3.51818 3.495103 3.470383 3.443771 3.414952 3.383526 3.348976 3.310609 3.267477 3.218227 3.16083 3.092048 3.006217 2.892 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.422500000000001e-10 5.059172000000001e-10 4.833997e-10 4.670394e-10 4.541823e-10 4.4358940000000003e-10 4.3458150000000003e-10 4.267454e-10 4.19811e-10 4.13592e-10 4.079546e-10 4.0279920000000005e-10 3.980499e-10 3.936472e-10 3.895441e-10 3.857023e-10 3.820906e-10 3.786829e-10 3.754574e-10 3.723957e-10 3.694818e-10 3.667022e-10 3.6404510000000004e-10 3.6150000000000004e-10 3.5976740000000004e-10 3.579439e-10 3.5601940000000004e-10 3.539821e-10 3.51818e-10 3.495103e-10 3.470383e-10 3.443771e-10 3.4149520000000003e-10 3.383526e-10 3.348976e-10 3.310609e-10 3.267477e-10 3.218227e-10 3.16083e-10 3.092048e-10 3.006217e-10 2.892e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.905058 1.3868 1.74769 2.02858 2.25389 2.43959 2.59515 2.72626 2.83872 2.93817 3.02814 3.11003 3.18421 3.25081 3.30996 3.36183 3.4066 3.4444 3.47542 3.49991 3.51817 3.53063 3.53774 3.54 3.53893 3.53545 3.52903 3.51901 3.50452 3.4844 3.45709 3.42045 3.37142 3.30556 3.21629 3.09369 2.92256 2.67885 2.32059 1.76361 0.81669 -1.01803 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4500627680680064e-19 2.22189853772544e-19 2.800108058405952e-19 3.250143449422464e-19 3.6111298638549126e-19 3.908654062337472e-19 4.15788865746912e-19 4.367950034222208e-19 4.548130816997376e-19 4.707467281935936e-19 4.851615112509312e-19 4.982817355986624e-19 5.101666817717569e-19 5.208371780662849e-19 5.303140527783168e-19 5.386245429104064e-19 5.457974876417281e-19 5.51853715268352e-19 5.568236671460737e-19 5.607473976904128e-19 5.636729721999936e-19 5.6566928426951045e-19 5.668084318468992e-19 5.671705237632001e-19 5.669990908647744e-19 5.664415334007361e-19 5.654129360101825e-19 5.638075550361408e-19 5.614860011126016e-19 5.58262421751552e-19 5.538868774001472e-19 5.480165022615361e-19 5.401610302897536e-19 5.296090950651648e-19 5.153064643712832e-19 4.956637790002752e-19 4.682457304885248e-19 4.2919908406300803e-19 3.7179950444622726e-19 2.825614710209088e-19 1.3084816244411522e-19 -1.631063865273024e-19 ] } }