{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Cu" ] } "a" { "source-value" [ 3.62133 3.378688 3.228307 3.119048 3.033184 2.962441 2.902283 2.849951 2.803641 2.762108 2.72446 2.69003 2.658312 2.62891 2.601508 2.575851 2.551731 2.528973 2.507433 2.486985 2.467525 2.448962 2.431217 2.41422 2.397037 2.37933 2.361066 2.342208 2.322717 2.302549 2.281654 2.25998 2.237465 2.214041 2.189632 2.164152 2.137501 2.109568 2.080223 2.049314 2.016667 1.982074 1.945289 1.906013 1.863886 1.818461 1.769177 1.715317 1.655945 1.5898 1.515138 1.429436 1.328852 1.20711 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.62133e-10 3.378688e-10 3.2283070000000003e-10 3.119048e-10 3.033184e-10 2.962441e-10 2.902283e-10 2.849951e-10 2.803641e-10 2.762108e-10 2.7244600000000004e-10 2.6900300000000003e-10 2.658312e-10 2.62891e-10 2.601508e-10 2.5758510000000003e-10 2.551731e-10 2.5289730000000004e-10 2.5074329999999997e-10 2.4869849999999997e-10 2.467525e-10 2.448962e-10 2.431217e-10 2.41422e-10 2.397037e-10 2.37933e-10 2.3610660000000003e-10 2.342208e-10 2.322717e-10 2.302549e-10 2.281654e-10 2.2599800000000003e-10 2.237465e-10 2.214041e-10 2.189632e-10 2.164152e-10 2.137501e-10 2.109568e-10 2.0802230000000003e-10 2.049314e-10 2.016667e-10 1.982074e-10 1.945289e-10 1.906013e-10 1.863886e-10 1.8184610000000002e-10 1.769177e-10 1.715317e-10 1.655945e-10 1.5898e-10 1.5151380000000002e-10 1.429436e-10 1.328852e-10 1.20711e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.893816 1.18177 1.39563 1.56874 1.71421 1.83909 1.94768 2.0429 2.1268 2.20092 2.26644 2.32429 2.37524 2.41991 2.45882 2.49242 2.52109 2.54516 2.56493 2.58066 2.59256 2.60084 2.60569 2.60727 2.60557 2.60004 2.59 2.5746 2.55286 2.52357 2.48528 2.43623 2.37425 2.2967 2.2003 2.08093 1.93344 1.75129 1.52609 1.24696 0.89965 0.465224 -0.0818585 -0.776684 -1.66825 -2.82664 -4.35463 -6.40743 -9.22782 -13.2122 -19.0414 -27.9646 -42.4743 -68.1442 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.432051110295344e-19 1.8934042807621799e-19 2.23604577570942e-19 2.51339857282116e-19 2.74646720776914e-19 2.9465470258230597e-19 3.12052738650912e-19 3.2730866455985995e-19 3.4075092651911997e-19 3.52626259730328e-19 3.6312372103629594e-19 3.7239231286398596e-19 3.8055540281421593e-19 3.877123258382939e-19 3.939463951211879e-19 3.99329708611428e-19 4.0392314902110596e-19 4.07779588179144e-19 4.1094709138456195e-19 4.1346731522984394e-19 4.15373905424304e-19 4.167005076772559e-19 4.1747756334474597e-19 4.1773070725291803e-19 4.17458337225138e-19 4.1657233354653595e-19 4.1496374820599995e-19 4.1249639618964e-19 4.0901326418732397e-19 4.0432048882633797e-19 3.9818575449475197e-19 3.90327078104982e-19 3.8039678732745e-19 3.6797190753078e-19 3.5252692477901995e-19 3.33401742298962e-19 3.09771239124096e-19 2.8058759173578597e-19 2.44506573938106e-19 1.99785017553264e-19 1.4413982087780998e-19 7.45371022376016e-20 -1.31151775994289e-20 -1.2443849568016559e-19 -2.6728311696705e-19 -4.528776560729759e-19 -6.97688643571542e-19 -1.026583462999062e-18 -1.4784597586757877e-18 -2.1168278123734797e-18 -3.0507686158647597e-18 -4.4804228699156396e-18 -6.805133100550619e-18 -1.091790449826228e-17 ] } }