{ "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" [ "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "a" { "source-value" [ 9.07287 8.464954 8.088192 7.814455 7.59933 7.422092 7.271372 7.140259 7.024233 6.920179 6.825854 6.739594 6.660128 6.586464 6.517811 6.453531 6.3931 6.336083 6.282114 6.230885 6.182131 6.135623 6.091164 6.04858 6.00553 5.961166 5.915407 5.868161 5.819328 5.768799 5.716451 5.662148 5.605738 5.547052 5.485898 5.42206 5.35529 5.285306 5.211784 5.134347 5.052553 4.965884 4.87372 4.775319 4.669774 4.555966 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.072870000000001e-10 8.464954000000001e-10 8.088192e-10 7.814455e-10 7.59933e-10 7.422092e-10 7.271372000000001e-10 7.140259000000001e-10 7.024233e-10 6.920179e-10 6.825854e-10 6.739594e-10 6.660128e-10 6.586464000000001e-10 6.517811e-10 6.453531e-10 6.393099999999999e-10 6.336083e-10 6.282114e-10 6.230885e-10 6.182131e-10 6.135623e-10 6.091164000000001e-10 6.04858e-10 6.005530000000001e-10 5.961166000000001e-10 5.915407e-10 5.868161e-10 5.819327999999999e-10 5.768798999999999e-10 5.716451000000001e-10 5.662148e-10 5.605738e-10 5.547052e-10 5.485898e-10 5.42206e-10 5.35529e-10 5.285306e-10 5.211784e-10 5.134347e-10 5.052553e-10 4.965884e-10 4.87372e-10 4.775319e-10 4.669774000000001e-10 4.555966e-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" [ 1.57106 2.35493 3.04386 3.67527 4.26547 4.81834 5.3399 5.83016 6.29069 6.72238 7.12622 7.50299 7.85166 8.17208 8.46523 8.7306 8.96669 9.17302 9.34905 9.4942 9.60787 9.68942 9.73965 9.75661 9.73747 9.67347 9.55278 9.36126 9.07908 8.68163 8.13716 7.4043 6.42861 5.1385 3.43655 1.19132 -1.77604 -5.7204 -11 -18.1281 -27.8676 -41.3644 -60.4016 -87.8144 -128.283 -189.856 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.5171156226120396e-19 3.77301382070562e-19 4.87680136916724e-19 5.888431717641179e-19 6.834036367027979e-19 7.719831762667559e-19 8.555463007896599e-19 9.34094612448144e-19 1.0078796529737459e-18 1.077044016086892e-18 1.1417463172743479e-18 1.2021115263135659e-18 1.2579746190112438e-18 1.3093115627178719e-18 1.3562793707435819e-18 1.39879633208004e-18 1.4366221202321458e-18 1.4696798307214677e-18 1.4978829460097699e-18 1.5211385398522798e-18 1.539350481650958e-18 1.552416232101228e-18 1.5604639653338098e-18 1.563181256905074e-18 1.5601146908275978e-18 1.5498607603699978e-18 1.5305240905742519e-18 1.4998392036798838e-18 1.4546289834216717e-18 1.390950473103342e-18 1.3037167619119439e-18 1.1862996451126199e-18 1.0299768731098739e-18 8.232784633808999e-19 5.505960111572699e-19 1.9087050676168797e-19 -2.84552978904936e-19 -9.1650912171336e-19 -1.7623942974e-18 -2.9044418238815398e-18 -4.4648817565658396e-18 -6.62730751594296e-18 -9.67740321762144e-18 -1.4069417980872962e-17 -2.0553202513942197e-17 -3.0418284702470396e-17 ] } }