{ "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.64436 8.998152 8.597657 8.306677 8.078002 7.889599 7.729386 7.590014 7.46668 7.356071 7.255804 7.164111 7.07964 7.001335 6.928357 6.860028 6.795791 6.735182 6.677815 6.623359 6.571533 6.522096 6.474836 6.42957 6.383808 6.33665 6.288009 6.237787 6.185878 6.132166 6.076521 6.018798 5.958835 5.896453 5.831447 5.763587 5.692612 5.61822 5.540067 5.457752 5.370806 5.278678 5.18071 5.076111 4.963918 4.842941 4.711688 4.568249 4.410128 4.233972 4.035132 3.806889 3.539014 3.21479 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.644360000000002e-10 8.998151999999999e-10 8.597657e-10 8.306677000000001e-10 8.078002e-10 7.889599e-10 7.729386e-10 7.590014e-10 7.466680000000001e-10 7.356071e-10 7.255804e-10 7.164111e-10 7.07964e-10 7.001335e-10 6.928357e-10 6.860028e-10 6.795791000000001e-10 6.735182e-10 6.677815e-10 6.623359e-10 6.571533e-10 6.522096e-10 6.474836e-10 6.42957e-10 6.383808000000001e-10 6.33665e-10 6.288009e-10 6.237787e-10 6.185878e-10 6.132166e-10 6.076521e-10 6.018798e-10 5.958835e-10 5.896453000000001e-10 5.831447e-10 5.763587000000001e-10 5.692612e-10 5.61822e-10 5.540067e-10 5.457752000000001e-10 5.370806000000001e-10 5.278678000000001e-10 5.180710000000001e-10 5.076111e-10 4.963917999999999e-10 4.842941e-10 4.711688e-10 4.568249e-10 4.410128e-10 4.233972e-10 4.035132e-10 3.806889e-10 3.539014e-10 3.21479e-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" [ 0.909871 1.2924 1.5845 1.82206 2.02148 2.19205 2.33967 2.4684 2.58118 2.68022 2.76727 2.84368 2.91059 2.96893 3.01947 3.06288 3.09973 3.13052 3.15568 3.17559 3.1906 3.20099 3.20705 3.20902 3.20691 3.2001 3.18778 3.16898 3.14258 3.1072 3.06121 3.00265 2.92914 2.83777 2.725 2.58643 2.41659 2.20862 1.95384 1.64113 1.25609 0.779859 0.187359 -0.555301 -1.49474 -2.69645 -4.25465 -6.30876 -9.07208 -12.8842 -18.313 -26.3682 -38.9941 -60.3608 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.457774056154214e-19 2.0706530817815998e-19 2.538648876573e-19 2.9192619577460397e-19 3.2387680220983197e-19 3.5120512905597e-19 3.7485646052707796e-19 3.9548128033655995e-19 4.135506284148119e-19 4.2941858579794795e-19 4.43365533396918e-19 4.556077650573119e-19 4.66327928915406e-19 4.75675027398162e-19 4.83772428106398e-19 4.907274768745919e-19 4.96631497770882e-19 5.01564599626968e-19 5.055956760381119e-19 5.08785609716406e-19 5.111904768440399e-19 5.12855138366766e-19 5.1382605740697e-19 5.14141686203868e-19 5.13803626934094e-19 5.1271254464634e-19 5.1073866303325195e-19 5.077265709613319e-19 5.03496824647572e-19 4.9782832371648e-19 4.904599133767139e-19 4.810775670080099e-19 4.692999665714759e-19 4.54660878666618e-19 4.36593132765e-19 4.14391771147662e-19 3.871804031958059e-19 3.5385993573850794e-19 3.1303967945745596e-19 2.6293801393564196e-19 2.0124780482010597e-19 1.249471867614606e-19 3.00182211969606e-20 -8.89690287036834e-20 -2.3948375019051597e-19 -4.3201891847493e-19 -6.816700815848099e-19 -1.010774786151384e-18 -1.4535074597778718e-18 -2.0642764187782797e-18 -2.9340660698441997e-18 -4.22465139206388e-18 -6.24754358838594e-18 -9.670866336954718e-18 ] } }