{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.51463 7.944118 7.590538 7.333643 7.131755 6.965422 6.823976 6.70093 6.592043 6.494391 6.405869 6.324917 6.250341 6.181208 6.11678 6.056455 5.999742 5.946233 5.895585 5.847508 5.801754 5.758107 5.716384 5.67642 5.636019 5.594385 5.551441 5.507102 5.461274 5.413853 5.364726 5.313764 5.260826 5.20575 5.148359 5.088448 5.025787 4.960109 4.891111 4.818438 4.741677 4.66034 4.573848 4.481501 4.38245 4.275644 4.159766 4.033129 3.89353 3.738008 3.562459 3.360952 3.124456 2.83821 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.514630000000001e-10 7.944118e-10 7.590538e-10 7.333643000000001e-10 7.131755e-10 6.965422e-10 6.823976e-10 6.70093e-10 6.592043000000001e-10 6.494391e-10 6.405869e-10 6.324917000000001e-10 6.250341e-10 6.181208e-10 6.116780000000001e-10 6.056455e-10 5.999742e-10 5.946233000000001e-10 5.895585e-10 5.847508e-10 5.801754e-10 5.758107e-10 5.716384e-10 5.67642e-10 5.636019e-10 5.594385e-10 5.551441e-10 5.507102e-10 5.461274000000001e-10 5.413853e-10 5.364726e-10 5.313764e-10 5.260826e-10 5.20575e-10 5.148359e-10 5.088448e-10 5.025787e-10 4.960109e-10 4.891111e-10 4.818438e-10 4.741677e-10 4.66034e-10 4.573848e-10 4.481501e-10 4.3824500000000007e-10 4.275644e-10 4.1597660000000005e-10 4.0331289999999997e-10 3.8935300000000003e-10 3.7380080000000004e-10 3.562459e-10 3.3609520000000003e-10 3.124456e-10 2.83821e-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" [ 0.397034 0.569898 0.706523 0.820785 0.91917 1.0051 1.08098 1.1483 1.20822 1.26162 1.30918 1.35152 1.38904 1.42212 1.4511 1.47631 1.49793 1.51616 1.5312 1.5432 1.5523 1.55865 1.56237 1.5636 1.56227 1.55793 1.55001 1.53784 1.52058 1.4972 1.46649 1.42692 1.37663 1.31333 1.23413 1.13538 1.01251 0.859537 0.668723 0.429979 0.129936 -0.249664 -0.73391 -1.35798 -2.17213 -3.25022 -4.70371 -6.70754 -9.54716 -13.7133 -20.1046 -30.5056 -48.8734 -85.4257 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.361185977035559e-20 9.13077259363332e-20 1.131974641983582e-19 1.31504254853769e-19 1.47267269667378e-19 1.6103477348334e-19 1.73192089782132e-19 1.8397794288222e-19 1.9357818527314799e-19 2.0213380849870798e-19 2.0975376057001198e-19 2.1653737643836799e-19 2.22548743169136e-19 2.27848743474408e-19 2.3249185135974e-19 2.36530938654054e-19 2.3999484453676197e-19 2.4291561254054395e-19 2.4532528619807994e-19 2.4724789815888e-19 2.4870587889582e-19 2.4972326105841e-19 2.50319270766258e-19 2.5051633849224e-19 2.50303248999918e-19 2.49607904340762e-19 2.48338980446634e-19 2.46389131483056e-19 2.43623774612772e-19 2.3987788564248e-19 2.34957601199466e-19 2.28617788258728e-19 2.20560441966342e-19 2.1041866387312201e-19 1.9772942493184198e-19 1.81907930671092e-19 1.6222198636913398e-19 1.377130097458458e-19 1.0714123652183819e-19 6.88902306910686e-20 2.08180423115424e-20 -4.00005827150976e-20 -1.1758534534589398e-19 -2.1757238254393197e-19 -3.48013593201042e-19 -5.20742653935948e-19 -7.536174255112139e-19 -1.074666385962036e-18 -1.529623667305944e-18 -2.19711288350322e-18 -3.22111203559164e-18 -4.8875359526150395e-18 -7.830381950413558e-18 -1.368670604830938e-17 ] } }