{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.3505 4.991997 4.769811 4.608381 4.481516 4.376994 4.288111 4.210791 4.142367 4.081004 4.025378 3.974508 3.927645 3.884204 3.843717 3.80581 3.770172 3.736547 3.704721 3.67451 3.645758 3.618332 3.592113 3.567 3.541612 3.51545 3.488464 3.460602 3.431804 3.402006 3.371135 3.339111 3.305845 3.271236 3.235172 3.197525 3.158149 3.116878 3.07352 3.027854 2.979618 2.928507 2.874156 2.816126 2.753883 2.686768 2.613951 2.534374 2.446651 2.348923 2.23861 2.111986 1.963374 1.7835 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.3505e-10 4.991997e-10 4.769811e-10 4.608381e-10 4.4815160000000004e-10 4.376994e-10 4.288111e-10 4.2107910000000003e-10 4.1423670000000004e-10 4.0810040000000004e-10 4.025378e-10 3.974508e-10 3.9276450000000003e-10 3.884204e-10 3.843717e-10 3.8058100000000005e-10 3.7701720000000005e-10 3.736547e-10 3.704721e-10 3.67451e-10 3.645758e-10 3.618332e-10 3.592113e-10 3.567e-10 3.541612e-10 3.51545e-10 3.4884640000000003e-10 3.4606020000000006e-10 3.431804e-10 3.402006e-10 3.371135e-10 3.3391110000000003e-10 3.3058450000000005e-10 3.271236e-10 3.235172e-10 3.1975250000000003e-10 3.158149e-10 3.116878e-10 3.07352e-10 3.0278540000000003e-10 2.979618e-10 2.9285070000000004e-10 2.874156e-10 2.816126e-10 2.753883e-10 2.686768e-10 2.6139510000000004e-10 2.534374e-10 2.4466510000000003e-10 2.348923e-10 2.23861e-10 2.111986e-10 1.9633740000000002e-10 1.7835e-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" [ 3.31191 4.09606 4.63828 5.05608 5.39552 5.6799 5.92281 6.13293 6.3162 6.47685 6.61803 6.74215 6.85112 6.94645 7.02939 7.10096 7.16202 7.21332 7.25547 7.28903 7.31447 7.3322 7.3426 7.346 7.34235 7.33063 7.30953 7.2775 7.23273 7.17307 7.09595 6.99831 6.87646 6.72597 6.5414 6.31614 6.04198 5.70875 5.30365 4.81048 4.20842 3.47052 2.56128 1.43324 0.0219278 -1.7622 -4.0476 -7.02452 -10.9828 -16.3763 -23.9339 -34.8507 -51.0927 -75.8107 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.30626481591094e-19 6.562611623462039e-19 7.43134383794952e-19 8.100733235634719e-19 8.64457607227968e-19 9.1002030634566e-19 9.48938778962154e-19 9.82603714395762e-19 1.01196680556708e-18 1.0377057731922899e-18 1.060325302911102e-18 1.0802115192923099e-18 1.097670438073008e-18 1.1129439879249298e-18 1.1262324409273259e-18 1.1376992190968639e-18 1.147482109624068e-18 1.155701275756488e-18 1.1624544502687978e-18 1.167831355052502e-18 1.171907292409398e-18 1.17474795158148e-18 1.17641421528084e-18 1.1769589553364e-18 1.1763741608649899e-18 1.174496409849942e-18 1.1711158171522018e-18 1.1659840453934998e-18 1.1588111006030819e-18 1.149252514804638e-18 1.13689652860323e-18 1.121252875948854e-18 1.1017303536635638e-18 1.077619197498498e-18 1.04804782336476e-18 1.011957192507276e-18 9.68031917909532e-19 9.146425859347499e-19 8.4973841049141e-19 7.707238654324319e-19 6.74263219005828e-19 5.56038605182968e-19 4.10362296913152e-19 2.29630363891416e-19 3.51322087950252e-21 -2.8233556644348e-19 -6.4849701437784e-19 -1.1254521809065679e-18 -1.75963855358952e-18 -2.62377252113742e-18 -3.83463353404926e-18 -5.58369772185438e-18 -8.18595301079718e-18 -1.2146213214718379e-17 ] } }