{ "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" [ "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" ] } "a" { "source-value" [ 8.88205 8.28692 7.918083 7.650103 7.439503 7.265993 7.118443 6.990088 6.876502 6.774636 6.682296 6.59785 6.520056 6.44794 6.380731 6.317803 6.258643 6.202825 6.149992 6.099841 6.052112 6.006582 5.963058 5.92137 5.89299 5.863121 5.831598 5.798228 5.76278 5.724979 5.684489 5.640898 5.593692 5.542217 5.485623 5.422779 5.352129 5.271457 5.177442 5.064778 4.924187 4.7371 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.88205e-10 8.286920000000001e-10 7.918083000000001e-10 7.650103e-10 7.439503000000001e-10 7.265993e-10 7.118443e-10 6.990088000000001e-10 6.876502000000001e-10 6.774636000000001e-10 6.682296000000001e-10 6.59785e-10 6.520056e-10 6.44794e-10 6.380731e-10 6.317803e-10 6.258643000000001e-10 6.202825e-10 6.149992e-10 6.099841e-10 6.052112e-10 6.006582e-10 5.963058000000001e-10 5.92137e-10 5.89299e-10 5.863121e-10 5.831598e-10 5.798228e-10 5.762780000000001e-10 5.724979000000001e-10 5.684489e-10 5.640898e-10 5.593692000000001e-10 5.542217e-10 5.485623e-10 5.422779000000001e-10 5.352128999999999e-10 5.271457e-10 5.177442e-10 5.064778e-10 4.924187e-10 4.7371e-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" [ 0.750263 0.978082 1.12628 1.23026 1.30528 1.35953 1.39802 1.56085 1.6096 1.63926 1.66155 1.67743 1.68771 1.69301 1.69387 1.69074 1.68398 1.67391 1.66083 1.64495 1.62651 1.72444 1.98157 2.02111 2.01975 2.01712 2.01308 2.00732 1.99944 1.98892 1.9751 1.95706 1.93361 1.90304 1.86295 1.80979 1.73812 1.63923 1.49818 1.28729 0.97981 0.380307 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.2020538479547419e-19 1.567060126535988e-19 1.8044994993415198e-19 1.9710938257448397e-19 2.0912891168275198e-19 2.1782071992220195e-19 2.23987497786468e-19 2.5007573991789e-19 2.5788635100864e-19 2.6263840690508396e-19 2.6620965862227e-19 2.68753915117062e-19 2.70400952696814e-19 2.7125010631283395e-19 2.71387893503358e-19 2.70886412216916e-19 2.6980334081233197e-19 2.68189948941894e-19 2.66094301904622e-19 2.6355004540982996e-19 2.6059563169673397e-19 2.7628574747349596e-19 3.17482515263538e-19 3.23817521674374e-19 3.2359962565215e-19 3.2317825319740797e-19 3.22530973837272e-19 3.21608120096088e-19 3.20345604908496e-19 3.18660115089528e-19 3.1644590698134e-19 3.13555580333604e-19 3.0979847612687397e-19 3.04900622156736e-19 2.9847749603103e-19 2.89960325044686e-19 2.78477525108808e-19 2.62633600375182e-19 2.40034898952612e-19 2.06246595918186e-19 1.56982868775954e-19 6.09318989146638e-20 ] } }