{ "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 5.528326 5.500305 5.470733 5.439428 5.406173 5.370711 5.332726 5.291833 5.247548 5.199259 5.146166 5.08721 5.020932 4.945252 4.857055 4.751362 4.619471 4.44396 ] "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 5.528326e-10 5.500305000000001e-10 5.470733000000001e-10 5.439428e-10 5.406173e-10 5.370711e-10 5.332726000000001e-10 5.291832999999999e-10 5.247548000000001e-10 5.199259e-10 5.146166e-10 5.08721e-10 5.020932000000001e-10 4.945252e-10 4.857055e-10 4.751362e-10 4.619471e-10 4.44396e-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 4.43537 4.42964 4.41918 4.40306 4.38008 4.34871 4.30698 4.25229 4.18112 4.08866 3.96812 3.8096 3.59814 3.31003 2.90531 2.31102 1.3782 -0.249078 ] "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 7.106246177144579e-19 7.097065705031759e-19 7.08030693744012e-19 7.054479850100039e-19 7.01766183105072e-19 6.967401550042139e-19 6.90054271910532e-19 6.81291967899186e-19 6.69889276795008e-19 6.550755516370439e-19 6.35762914490808e-19 6.103652104886399e-19 5.764855833860759e-19 5.30325272383902e-19 4.65481979652654e-19 3.70266224470668e-19 2.2081198369788e-19 -3.9906695164345197e-20 ] } }