{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.41107 5.048508 4.823807 4.66055 4.532249 4.426544 4.336655 4.258459 4.189261 4.127202 4.070947 4.019502 3.972108 3.928174 3.88723 3.848893 3.812852 3.778847 3.74666 3.716107 3.68703 3.659293 3.632777 3.60738 3.59009 3.571893 3.552689 3.53236 3.510764 3.487735 3.463067 3.436511 3.407752 3.376393 3.341915 3.303629 3.260588 3.211441 3.154165 3.085528 2.999877 2.8859 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.41107e-10 5.048508e-10 4.823807000000001e-10 4.66055e-10 4.532249e-10 4.4265439999999997e-10 4.336655000000001e-10 4.258459e-10 4.189261e-10 4.1272019999999996e-10 4.0709470000000004e-10 4.019502e-10 3.972108e-10 3.928174e-10 3.8872300000000005e-10 3.848893e-10 3.812852e-10 3.778847e-10 3.7466600000000003e-10 3.7161070000000004e-10 3.68703e-10 3.659293e-10 3.632777e-10 3.60738e-10 3.5900900000000003e-10 3.571893e-10 3.552689e-10 3.5323600000000003e-10 3.5107640000000003e-10 3.487735e-10 3.463067e-10 3.436511e-10 3.407752e-10 3.376393e-10 3.341915e-10 3.3036290000000003e-10 3.260588e-10 3.2114410000000006e-10 3.154165e-10 3.085528e-10 2.999877e-10 2.8859e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.115925 0.51835 0.996056 1.4301 2.01277 3.00178 4.11938 5.11683 5.84563 6.26963 6.59386 6.88252 7.13865 7.36465 7.5625 7.73376 7.87975 8.00156 8.09985 8.17531 8.22861 8.26027 8.27072 8.26557 8.24847 8.2164 8.1655 8.09071 7.98535 7.84041 7.64357 7.37758 7.01763 6.52696 5.84911 4.89349 3.50658 1.3878 -2.06107 -7.85014 -19.9132 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 1.8573232476624002e-20 8.3048825139168e-20 1.595857636207565e-19 2.29127278540608e-19 3.2248130370476163e-19 4.809381736785024e-19 6.599974328191103e-19 8.198065398608065e-19 9.365731719847105e-19 1.0045054607066304e-18 1.056452833282829e-18 1.1027012636188418e-18 1.1437378134073921e-18 1.1799470050374721e-18 1.2116460694800001e-18 1.2390849462878209e-18 1.26247512277488e-18 1.2819912361928447e-18 1.297739030198688e-18 1.3098290549792448e-18 1.3183686563681088e-18 1.3234411475495618e-18 1.3251154221182979e-18 1.3242903011585856e-18 1.3215505791370175e-18 1.316412398714112e-18 1.30825731971424e-18 1.2962746407672769e-18 1.2793941078905282e-18 1.256172159948653e-18 1.2246349153448257e-18 1.1820186194081665e-18 1.1243482719424704e-18 1.0457342716896768e-18 9.371307294487488e-19 7.840235272118592e-19 5.618160494964865e-19 2.22350071434624e-19 -3.302198167832256e-19 -1.2577310778006912e-18 -3.1904463485314562e-18 ] } }