{ "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" [ "Ir" "Ir" ] } "a" { "source-value" [ 4.6559 4.343937 4.150595 4.010121 3.899726 3.808773 3.731428 3.664145 3.604604 3.551207 3.502802 3.458537 3.417757 3.379955 3.344724 3.311738 3.280727 3.251467 3.223772 3.197483 3.172464 3.148598 3.125783 3.10393 3.081838 3.059072 3.03559 3.011345 2.986286 2.960356 2.933493 2.905626 2.876679 2.846563 2.815181 2.782422 2.748158 2.712245 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.6559e-10 4.343937000000001e-10 4.150595e-10 4.010121e-10 3.899726e-10 3.808773e-10 3.7314280000000003e-10 3.664145e-10 3.6046040000000004e-10 3.551207e-10 3.502802e-10 3.4585370000000004e-10 3.417757e-10 3.379955e-10 3.3447239999999997e-10 3.3117380000000003e-10 3.280727e-10 3.251467e-10 3.223772e-10 3.1974830000000003e-10 3.172464e-10 3.1485979999999997e-10 3.1257830000000005e-10 3.1039300000000003e-10 3.081838e-10 3.059072e-10 3.0355900000000003e-10 3.011345e-10 2.9862860000000005e-10 2.960356e-10 2.933493e-10 2.905626e-10 2.8766790000000005e-10 2.8465630000000004e-10 2.815181e-10 2.782422e-10 2.7481580000000004e-10 2.712245e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 4.77328 7.14404 9.23254 11.1451 12.9232 14.5922 16.1623 17.6384 19.0251 20.3252 21.5422 22.6746 23.7227 24.6886 25.5724 26.3724 27.0844 27.7071 28.2387 28.6776 29.0223 29.2722 29.4237 29.4746 29.4171 29.2253 28.8648 28.2907 27.4448 26.2527 24.6191 22.4197 19.4919 15.618 10.5066 3.76911 -5.14147 -16.9865 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.647637683539519e-19 1.144601396036136e-18 1.479215986047036e-18 1.7856418803593397e-18 2.07052490765088e-18 2.33792818786548e-18 2.5894859411698196e-18 2.82598323411456e-18 3.0481570679513397e-18 3.2564560521376795e-18 3.45144094849548e-18 3.63287143052964e-18 3.8007955635391796e-18 3.9555498046172395e-18 4.097150175530159e-18 4.225324306250159e-18 4.3393992825909596e-18 4.43916682159014e-18 4.52433853145358e-18 4.59465806391984e-18 4.64988509249382e-18 4.68992348657748e-18 4.714196462582579e-18 4.72235154164964e-18 4.71313902600414e-18 4.6824092781640194e-18 4.6246508105083195e-18 4.5326698499503795e-18 4.39714172848032e-18 4.20614625194118e-18 3.9444146770109395e-18 3.592031948128979e-18 3.1229466732264598e-18 2.5022794669812e-18 1.68334290227844e-18 6.03877997297574e-19 -8.237543098411979e-19 -2.7215373393440997e-18 ] } }