{ "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" [ "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "a" { "source-value" [ 16.3304 15.236196 14.558052 14.065345 13.678136 13.35912 13.087836 12.851842 12.643005 12.455714 12.285936 12.130675 11.987642 11.855051 11.731481 11.615781 11.50701 11.404383 11.307245 11.215036 11.127282 11.043571 10.963548 10.8869 10.834721 10.779804 10.721847 10.660493 10.595319 10.525818 10.451374 10.371229 10.284437 10.189796 10.085743 9.970198 9.840303 9.691981 9.519126 9.311983 9.053496 8.70952 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.6330400000000002e-09 1.5236196e-09 1.4558052e-09 1.4065345e-09 1.3678136000000002e-09 1.3359120000000002e-09 1.3087836e-09 1.2851842e-09 1.2643005e-09 1.2455714000000001e-09 1.2285936e-09 1.2130675e-09 1.1987642e-09 1.1855051e-09 1.1731481e-09 1.1615781e-09 1.1507009999999999e-09 1.1404383e-09 1.1307245e-09 1.1215036e-09 1.1127282e-09 1.1043571e-09 1.0963548e-09 1.08869e-09 1.0834721e-09 1.0779804000000002e-09 1.0721847000000002e-09 1.0660493e-09 1.0595319e-09 1.0525818e-09 1.0451374e-09 1.0371229e-09 1.0284437000000002e-09 1.0189796e-09 1.0085743e-09 9.970198e-10 9.840303e-10 9.691981000000001e-10 9.519126e-10 9.311983e-10 9.053496000000002e-10 8.70952e-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 0 0.00839021 0.030387 0.0647083 0.106426 0.150362 0.192761 0.231472 0.265573 0.294913 0.319762 0.34058 0.357881 0.372159 0.383856 0.393352 0.400966 0.40696 0.411548 0.414904 0.41717 0.418463 0.418876 0.41868 0.418045 0.416882 0.415079 0.412493 0.408938 0.404169 0.397856 0.389547 0.378607 0.364121 0.344726 0.318308 0.281423 0.228094 0.147031 0.0254081 -0.168018 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 1.3442598305602369e-21 4.86853409762496e-21 1.0367412543171263e-20 1.7051324904526084e-20 2.409064810567296e-20 3.088371676020288e-20 3.7085902676981767e-20 4.2549485171571844e-20 4.725027137699904e-20 5.1231520062024964e-20 5.456693135120641e-20 5.733885712285248e-20 5.962644490203073e-20 6.150051089538048e-20 6.302193781449215e-20 6.424183509356929e-20 6.52021797600768e-20 6.593725839369985e-20 6.647494886764032e-20 6.68380020899136e-20 6.704516352698303e-20 6.711133342142209e-20 6.70799307596544e-20 6.69781925442336e-20 6.679185940323456e-20 6.650298695850431e-20 6.608866408436544e-20 6.551909029567105e-20 6.475501226521152e-20 6.374355816450049e-20 6.241230961027776e-20 6.065952838712256e-20 5.833861533423168e-20 5.523119377819008e-20 5.099856358136064e-20 4.508893511553984e-20 3.654468741447552e-20 2.3556963073284482e-20 4.0708263798948485e-21 -2.6919451147357443e-20 ] } }