{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.02872 7.490766 7.157364 6.915129 6.724762 6.567921 6.434547 6.318523 6.21585 6.123771 6.040301 5.963969 5.893648 5.828461 5.767709 5.710827 5.657351 5.606895 5.559138 5.513805 5.470661 5.429506 5.390163 5.35248 5.326826 5.299827 5.271332 5.241168 5.209126 5.174956 5.138355 5.098952 5.056282 5.009752 4.958595 4.901787 4.837925 4.765003 4.680019 4.578178 4.451094 4.28198 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.028720000000001e-10 7.490766e-10 7.157364e-10 6.915129e-10 6.724762000000001e-10 6.567921e-10 6.434547e-10 6.318523000000001e-10 6.21585e-10 6.123771e-10 6.040301000000001e-10 5.963969e-10 5.893648e-10 5.828461e-10 5.767709e-10 5.710827e-10 5.657351e-10 5.606895e-10 5.559138e-10 5.513805e-10 5.470661e-10 5.429506000000001e-10 5.390163e-10 5.35248e-10 5.326826e-10 5.299827e-10 5.271332e-10 5.241168000000001e-10 5.209126e-10 5.174956e-10 5.138355e-10 5.098952e-10 5.056282000000001e-10 5.009752e-10 4.958595e-10 4.901787e-10 4.837925e-10 4.765003000000001e-10 4.680019e-10 4.5781780000000005e-10 4.4510940000000004e-10 4.28198e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.649367 0.949308 1.17511 1.36594 1.52651 1.66146 1.77556 1.87226 1.95501 2.02706 2.09062 2.14685 2.1964 2.23976 2.27742 2.30981 2.33735 2.3604 2.37928 2.39429 2.40565 2.41358 2.41825 2.41977 2.41903 2.41657 2.412 2.4048 2.39431 2.3797 2.35985 2.33328 2.29795 2.25096 2.18804 2.10258 1.98422 1.8162 1.57089 1.1991 0.594856 -0.52506 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0404006257190337e-19 1.5209590835384065e-19 1.8827337688682884e-19 2.188477133415552e-19 2.445738633417408e-19 2.6619523683943683e-19 2.8447607208276483e-19 2.999691200059008e-19 3.1322713154302083e-19 3.247708140958848e-19 3.349542486976896e-19 3.43963287836448e-19 3.5190207299251206e-19 3.5884911082030084e-19 3.6488290797423365e-19 3.7007235804900484e-19 3.74484752462688e-19 3.78177769573632e-19 3.812026790337024e-19 3.836075461415232e-19 3.8542761878275203e-19 3.8669814484304643e-19 3.8744636132496004e-19 3.8768989217132166e-19 3.875713311013824e-19 3.871771956526656e-19 3.8644500093696e-19 3.85291433769984e-19 3.8361075049476483e-19 3.8126997045177603e-19 3.78089649859488e-19 3.738326665780224e-19 3.6817217657673606e-19 3.6064354863559683e-19 3.505626533375232e-19 3.3687045193616646e-19 3.179070894523776e-19 2.9098731786969603e-19 2.516843231848512e-19 1.9211699860012803e-19 9.53064375942605e-20 -8.41238856517248e-20 ] } }