{ "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" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 10.5608 9.853185 9.414633 9.096002 8.845596 8.63929 8.463853 8.311237 8.176183 8.055063 7.945269 7.844862 7.752363 7.666618 7.586705 7.511883 7.441541 7.375174 7.312354 7.252724 7.195974 7.141838 7.090088 7.04052 7.006776 6.971262 6.933781 6.894104 6.851956 6.80701 6.758867 6.707038 6.65091 6.589707 6.522416 6.447694 6.363691 6.267772 6.155988 6.02203 5.854868 5.63242 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.0560800000000001e-09 9.853185e-10 9.414633e-10 9.096002000000001e-10 8.845596000000001e-10 8.639290000000001e-10 8.463853000000001e-10 8.311237000000001e-10 8.176183e-10 8.055063000000001e-10 7.945269e-10 7.844862000000001e-10 7.752363000000001e-10 7.666618e-10 7.586705000000001e-10 7.511883e-10 7.441541e-10 7.375174000000001e-10 7.312354e-10 7.252724e-10 7.195974e-10 7.141838e-10 7.090088e-10 7.04052e-10 7.006776000000001e-10 6.971262000000001e-10 6.933781e-10 6.894104e-10 6.851956e-10 6.80701e-10 6.758867000000001e-10 6.707038e-10 6.65091e-10 6.589707e-10 6.522416e-10 6.447694000000001e-10 6.363691000000001e-10 6.267772e-10 6.155988e-10 6.02203e-10 5.854868e-10 5.63242e-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" [ 0.357382 0.427961 0.495337 0.551948 0.588496 0.613649 0.636416 0.656867 0.674691 0.691189 0.706773 0.721245 0.734338 0.745977 0.756312 0.765637 0.774276 0.78242 0.790063 0.797004 0.802819 0.807053 0.809542 0.810341 0.809969 0.80878 0.806654 0.803459 0.79904 0.793183 0.785567 0.775753 0.763196 0.74725 0.72718 0.702142 0.671057 0.63221 0.581984 0.510562 0.396844 0.231818 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.725890850947456e-20 6.856691088141888e-20 7.936173608172097e-20 8.843181814973185e-20 9.428745326343169e-20 9.831740811772992e-20 1.0196508363030529e-19 1.0524169503750336e-19 1.080974146464173e-19 1.1074068563541313e-19 1.1323751768126784e-19 1.1555618768688961e-19 1.1765391753650306e-19 1.1951869090545217e-19 1.2117454044304895e-19 1.2266857014194497e-19 1.240526905246541e-19 1.253575031646336e-19 1.2658204675591105e-19 1.2769411754840834e-19 1.2862578325340352e-19 1.2930414483465025e-19 1.2970292659556736e-19 1.298309405075693e-19 1.2977133953727554e-19 1.2958084073706242e-19 1.2924021798748032e-19 1.2872832255713473e-19 1.280203207084032e-19 1.2708192586160064e-19 1.2586170814719937e-19 1.2428933201154624e-19 1.2227747882880768e-19 1.1972264798928e-19 1.165070795113344e-19 1.1249554968817538e-19 1.0751518366241856e-19 1.0129120814359681e-19 9.324411584796672e-20 8.180104998688896e-20 6.358141789047552e-20 3.7141337988061443e-20 ] } }