{ "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" [ "As" "As" "As" "As" "As" "As" "As" "As" ] } "a" { "source-value" [ 8.71284 8.129048 7.767236 7.504361 7.297773 7.127568 6.982829 6.856919 6.745497 6.645572 6.55499 6.472153 6.395841 6.325099 6.259171 6.197441 6.139408 6.084654 6.032827 5.983631 5.936811 5.892149 5.849454 5.80856 5.78072 5.75142 5.720498 5.687764 5.652991 5.61591 5.576191 5.533431 5.487125 5.43663 5.381114 5.319467 5.250163 5.171028 5.078804 4.968285 4.830374 4.64685 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.71284e-10 8.129047999999999e-10 7.767236e-10 7.504361e-10 7.297773e-10 7.127568e-10 6.982829e-10 6.856919e-10 6.745497e-10 6.645572e-10 6.554990000000001e-10 6.472153e-10 6.395841e-10 6.325099e-10 6.259171000000001e-10 6.197441e-10 6.139408000000001e-10 6.084654e-10 6.032827e-10 5.983631e-10 5.936811e-10 5.892149e-10 5.849454e-10 5.808560000000001e-10 5.78072e-10 5.751420000000001e-10 5.720498e-10 5.687764e-10 5.652991e-10 5.61591e-10 5.576191e-10 5.533431e-10 5.487125e-10 5.43663e-10 5.381114e-10 5.319467000000001e-10 5.250163e-10 5.171028e-10 5.078804e-10 4.968285e-10 4.830374e-10 4.64685e-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 0.164748 0.948371 1.40609 1.58967 1.71986 1.8329 1.93181 2.01875 2.09534 2.16287 2.22234 2.27456 2.32022 2.3599 2.39407 2.42316 2.44752 2.46748 2.48331 2.49527 2.50358 2.50843 2.51001 2.50925 2.50674 2.50208 2.49478 2.48419 2.46948 2.44956 2.42295 2.38765 2.34085 2.27852 2.1947 2.08021 1.92019 1.68888 1.31241 0.620006 -0.75199 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 2.63955396098232e-20 1.5194578565632138e-19 2.25280454330106e-19 2.5469321297707797e-19 2.7555195057512396e-19 2.9366295524586e-19 3.0951008433275397e-19 3.2343940798874994e-19 3.3571047882855603e-19 3.4652997763795797e-19 3.56058122080356e-19 3.64424688463104e-19 3.7174022697394795e-19 3.7809766385766e-19 3.83572301416038e-19 3.88233033244344e-19 3.92135935524768e-19 3.95333880086232e-19 3.9787012569785394e-19 3.99786328952118e-19 4.0111773773497195e-19 4.01894793402462e-19 4.0214793731063396e-19 4.0202617188645e-19 4.01624025551316e-19 4.0087741123987194e-19 3.9970782229705196e-19 3.9801111724164595e-19 3.9565431541303197e-19 3.9246277955810396e-19 3.8819938753503e-19 3.8254370401700996e-19 3.7504551736989e-19 3.6505915041016796e-19 3.5162970586398e-19 3.33286385581314e-19 3.07648355084046e-19 2.70588407362992e-19 2.10271263622794e-19 9.933591261398038e-20 -1.20482080700166e-19 ] } }