{ "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" [ "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 8.33243 7.774126 7.428111 7.176713 6.979145 6.81637 6.677951 6.557538 6.450981 6.355418 6.268791 6.189571 6.11659 6.048937 5.985887 5.926853 5.871354 5.81899 5.769426 5.722378 5.677602 5.63489 5.594058 5.55495 5.515413 5.47467 5.432645 5.389255 5.344407 5.298002 5.249926 5.200054 5.148248 5.094352 5.038188 4.979559 4.918239 4.853966 4.786444 4.715327 4.640208 4.560612 4.47597 4.385599 4.288667 4.184147 4.070748 3.946821 3.810209 3.658015 3.486222 3.289027 3.057591 2.77747 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.33243e-10 7.774126e-10 7.428111000000001e-10 7.176713000000001e-10 6.979145e-10 6.81637e-10 6.677951e-10 6.557538e-10 6.450981e-10 6.355418e-10 6.268791e-10 6.189571e-10 6.11659e-10 6.048937e-10 5.985887e-10 5.926853000000001e-10 5.871354000000001e-10 5.81899e-10 5.769426000000001e-10 5.722378e-10 5.677602000000001e-10 5.634890000000001e-10 5.594058e-10 5.554950000000001e-10 5.515412999999999e-10 5.474669999999999e-10 5.432645e-10 5.389255e-10 5.344407000000001e-10 5.298002e-10 5.249926000000001e-10 5.200054e-10 5.148248e-10 5.094352e-10 5.038188000000001e-10 4.979559e-10 4.918239e-10 4.853966e-10 4.786444000000001e-10 4.715327000000001e-10 4.6402080000000007e-10 4.560612e-10 4.4759700000000006e-10 4.385599e-10 4.288667e-10 4.1841470000000006e-10 4.070748e-10 3.946821e-10 3.810209e-10 3.658015e-10 3.486222e-10 3.289027e-10 3.057591e-10 2.77747e-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" [ 0.869401 1.17148 1.39576 1.58039 1.75491 1.95983 2.21539 2.50646 2.80363 3.08323 3.33285 3.54875 3.73197 3.88562 4.01335 4.11863 4.20455 4.27373 4.32835 4.37024 4.40091 4.4216 4.43338 4.43714 4.43323 4.42084 4.39887 4.36601 4.32073 4.2612 4.18526 4.09031 3.97323 3.83024 3.65674 3.44707 3.19429 2.88969 2.52237 2.07848 1.54023 0.885884 0.0856391 -0.906284 -2.14246 -3.7001 -5.68912 -8.27022 -11.6861 -16.3179 -22.7929 -32.2068 -46.6273 -70.3814 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.392933967776234e-19 1.87691788319832e-19 2.23625405867184e-19 2.5320639306072597e-19 2.8116757967729396e-19 3.13999383261222e-19 3.54944609319726e-19 4.0157916460556397e-19 4.491910476381419e-19 4.939879063247819e-19 5.3398143946269e-19 5.6857243299075e-19 5.97927513278898e-19 6.2254495726030795e-19 6.430095594063899e-19 6.598772750091419e-19 6.7364317664847e-19 6.847270346024819e-19 6.934781233773901e-19 7.001896412972159e-19 7.051035170336939e-19 7.084184204894399e-19 7.103057845642919e-19 7.10908202978676e-19 7.102817519147819e-19 7.08296655065256e-19 7.047766730003578e-19 6.99511920581034e-19 6.92257264782282e-19 6.827195072800799e-19 6.70552577921484e-19 6.553399107816539e-19 6.36581626750782e-19 6.136721030612159e-19 5.85874338461316e-19 5.52281500976238e-19 5.1178168002198595e-19 4.62979379750346e-19 4.04128227630258e-19 3.3300920902363196e-19 2.4677205169858197e-19 1.4193426452344559e-19 1.372089649767894e-20 -1.4520270485680558e-19 -3.4325993512796396e-19 -5.928213763463399e-19 -9.11497513202208e-19 -1.325035324203948e-18 -1.87231963625874e-18 -2.61441580959486e-18 -3.6518251801098594e-18 -5.16009824159112e-18 -7.47051705665082e-18 -1.1276343454820759e-17 ] } }