{ "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" [ 0.899261 1.34425 1.68225 1.95616 2.18548 2.3812 2.55028 2.6975 2.8263 2.93929 3.03847 3.12547 3.20155 3.26785 3.32523 3.37449 3.41628 3.45117 3.47966 3.5022 3.51917 3.53093 3.53777 3.54 3.53893 3.53541 3.52889 3.5187 3.50396 3.48354 3.45595 3.41921 3.37062 3.30644 3.22131 3.10734 2.95246 2.73729 2.42873 1.9655 1.2205 -0.119694 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4407749501972288e-19 2.1537259225104e-19 2.6952616203408e-19 3.134113818544128e-19 3.5015249612259843e-19 3.8151029694489605e-19 4.085998992493824e-19 4.321871434608e-19 4.52823178336704e-19 4.709261719751233e-19 4.868165597002176e-19 5.007554963011776e-19 5.129448560322241e-19 5.23567287028128e-19 5.327605764782785e-19 5.406528985123392e-19 5.473483946106624e-19 5.529383888406336e-19 5.575029900332928e-19 5.611142961365761e-19 5.638331898620736e-19 5.657173495681345e-19 5.668132383767617e-19 5.671705237632001e-19 5.669990908647744e-19 5.664351246942529e-19 5.653905055374913e-19 5.63757887560896e-19 5.613962792218369e-19 5.581246345621633e-19 5.53704229265376e-19 5.478178323605568e-19 5.400328561600897e-19 5.297500866077952e-19 5.161107570349249e-19 4.978507500876673e-19 4.730362385847168e-19 4.385622042349632e-19 3.891254424235584e-19 3.1490781481824004e-19 1.9554565656864e-19 -1.917709284500352e-20 ] } }