{ "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" [ "W" "W" "W" "W" ] } "a" { "source-value" [ 6.01753 5.614334 5.364449 5.182894 5.040215 4.922662 4.822699 4.735739 4.658786 4.589772 4.527212 4.470001 4.417295 4.368438 4.322904 4.280271 4.24019 4.202374 4.16658 4.132603 4.100267 4.069421 4.039933 4.01169 3.983137 3.953713 3.923363 3.892028 3.85964 3.826126 3.791406 3.75539 3.717977 3.679053 3.638493 3.596153 3.551868 3.505451 3.456688 3.405328 3.351078 3.293595 3.232468 3.167204 3.097202 3.021719 2.939824 2.850326 2.751667 2.641755 2.517689 2.375278 2.208139 2.00584 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.01753e-10 5.614334e-10 5.364449e-10 5.182894e-10 5.040215e-10 4.922662e-10 4.822699e-10 4.735739e-10 4.658786e-10 4.589772e-10 4.527212e-10 4.470001e-10 4.4172950000000003e-10 4.3684380000000004e-10 4.3229040000000004e-10 4.2802710000000003e-10 4.2401900000000004e-10 4.202374e-10 4.1665799999999997e-10 4.1326029999999997e-10 4.1002669999999996e-10 4.0694210000000004e-10 4.0399330000000004e-10 4.01169e-10 3.9831370000000003e-10 3.953713e-10 3.923363e-10 3.8920279999999997e-10 3.85964e-10 3.826126e-10 3.791406e-10 3.7553899999999997e-10 3.717977e-10 3.6790530000000003e-10 3.638493e-10 3.5961530000000005e-10 3.551868e-10 3.505451e-10 3.4566880000000004e-10 3.405328e-10 3.3510779999999996e-10 3.293595e-10 3.232468e-10 3.167204e-10 3.097202e-10 3.0217190000000004e-10 2.9398240000000004e-10 2.850326e-10 2.7516669999999997e-10 2.6417549999999997e-10 2.517689e-10 2.375278e-10 2.2081390000000001e-10 2.00584e-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" [ 1.87151 2.83041 3.60165 4.25068 4.80958 5.29743 5.72679 6.10661 6.44354 6.74271 7.0082 7.25115 7.4654 7.64867 7.80858 7.94686 8.06499 8.16426 8.24583 8.31073 8.35987 8.39408 8.41411 8.42065 8.4136 8.39078 8.34931 8.28577 8.19607 8.0753 7.91754 7.71559 7.46072 7.14215 6.74664 6.25768 5.65459 4.91121 3.99418 2.86043 1.45374 -0.300158 -2.50096 -5.28458 -8.83992 -13.4351 -19.4602 -27.4994 -38.4579 -53.7973 -75.9995 -109.554 -163.275 -256.503 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.9984895922973396e-19 4.53481676663994e-19 5.770479473846099e-19 6.810340174611119e-19 7.70579669535372e-19 8.48741856625062e-19 9.17532912582486e-19 9.78386785495074e-19 1.0323689228244358e-18 1.0803012411838139e-18 1.12283742863988e-18 1.16176230996291e-18 1.19608894434636e-18 1.225452035517678e-18 1.251072442071972e-18 1.2732273405669239e-18 1.2921538531443659e-18 1.308058660590084e-18 1.321127615393622e-18 1.3315257417482818e-18 1.339398837727758e-18 1.344879883992672e-18 1.348089043790574e-18 1.3491368673092099e-18 1.34800733278224e-18 1.3443511657034517e-18 1.3377069392022538e-18 1.3275267088698179e-18 1.313155184462838e-18 1.29380569725402e-18 1.2685297586760359e-18 1.2361738015524058e-18 1.195339125681648e-18 1.1442985846523099e-18 1.080930896600976e-18 1.0025908679049118e-18 9.05965197285006e-19 7.868625906667139e-19 6.39938186799012e-19 4.582914109192619e-19 2.3291482599111598e-19 -4.8090613410817194e-20 -4.00697967456864e-19 -8.46683059650372e-19 -1.4163113270429278e-18 -2.1525403295453397e-18 -3.1178677732966797e-18 -4.40588961290196e-18 -6.16163487727086e-18 -8.619277703228819e-18 -1.2176462309568298e-17 -1.75524858961236e-17 -2.6159538991635e-17 -4.109631131509019e-17 ] } }