{ "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" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" ] } "a" { "source-value" [ 17.9235 16.722559 15.978264 15.437494 15.012514 14.662379 14.364632 14.105617 13.876408 13.670847 13.484509 13.314102 13.157117 13.011592 12.875967 12.748982 12.6296 12.516963 12.410348 12.309145 12.212831 12.120954 12.033124 11.949 11.89173 11.831456 11.767845 11.700505 11.628973 11.552692 11.470985 11.383021 11.287762 11.183888 11.069684 10.942867 10.800299 10.637507 10.447789 10.220438 9.936734 9.5592 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.7923500000000001e-09 1.6722559000000001e-09 1.5978264e-09 1.5437494e-09 1.5012514e-09 1.4662379e-09 1.4364632e-09 1.4105617e-09 1.3876408e-09 1.3670847e-09 1.3484509e-09 1.3314102000000001e-09 1.3157117e-09 1.3011592e-09 1.2875967e-09 1.2748982e-09 1.26296e-09 1.2516963000000002e-09 1.2410348e-09 1.2309145e-09 1.2212831e-09 1.2120954e-09 1.2033124000000002e-09 1.1949e-09 1.189173e-09 1.1831456e-09 1.1767845e-09 1.1700505e-09 1.1628973000000002e-09 1.1552692e-09 1.1470985e-09 1.1383021e-09 1.1287762000000001e-09 1.1183888e-09 1.1069684e-09 1.0942867e-09 1.0800299000000002e-09 1.0637507e-09 1.0447789e-09 1.0220438e-09 9.936734e-10 9.559200000000001e-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" [ 0.00311176 0.121276 0.266113 0.320127 0.361988 0.392571 0.415664 0.433902 0.448785 0.461213 0.471813 0.480979 0.488901 0.495714 0.50153 0.506452 0.510571 0.513967 0.516707 0.518853 0.520458 0.521563 0.522204 0.522411 0.522312 0.521989 0.521395 0.520472 0.519148 0.517328 0.514895 0.511689 0.507503 0.50213 0.495637 0.488311 0.480749 0.474137 0.47052 0.470274 0.4664 0.437989 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.985589121540608e-22 1.943055718641408e-20 4.2636002709095043e-20 5.128999950868416e-20 5.799687106101505e-20 6.289680782040769e-20 6.659671429082112e-20 6.951876401183616e-20 7.19032834765728e-20 7.389446858090304e-20 7.559277579895105e-20 7.706133088957632e-20 7.833057520857408e-20 7.942213814032512e-20 8.035396406298241e-20 8.114255539574016e-20 8.180249194584769e-20 8.234659112627136e-20 8.278558752037057e-20 8.312941462319424e-20 8.338656397083264e-20 8.356360448743105e-20 8.366630400882432e-20 8.369946906487488e-20 8.368360751632897e-20 8.363185721147714e-20 8.353668792020161e-20 8.338880701810177e-20 8.317667883350785e-20 8.288508268852225e-20 8.24952731166816e-20 8.198161529205312e-20 8.131094415858625e-20 8.04500946602304e-20 7.940980138034496e-20 7.823604678794688e-20 7.702448082729792e-20 7.596512164562496e-20 7.53856143618816e-20 7.534620081700993e-20 7.4725517594112e-20 7.017357359675713e-20 ] } }