{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Al" "Al" ] } "a" { "source-value" [ 4.85304 4.527868 4.32634 4.179919 4.06485 3.970046 3.889426 3.819294 3.757233 3.701574 3.651121 3.604981 3.562475 3.523072 3.486349 3.451966 3.419642 3.389144 3.360277 3.332874 3.306796 3.281919 3.258138 3.23536 3.219853 3.203533 3.18631 3.168077 3.148709 3.128054 3.105931 3.082114 3.056321 3.028196 2.997274 2.962936 2.924334 2.880256 2.828887 2.767329 2.690512 2.58829 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.85304e-10 4.527868e-10 4.32634e-10 4.179919e-10 4.06485e-10 3.970046e-10 3.889426e-10 3.819294e-10 3.757233e-10 3.701574e-10 3.651121e-10 3.604981e-10 3.562475e-10 3.5230720000000003e-10 3.4863490000000003e-10 3.451966e-10 3.419642e-10 3.3891440000000003e-10 3.360277e-10 3.332874e-10 3.306796e-10 3.281919e-10 3.258138e-10 3.23536e-10 3.2198530000000004e-10 3.2035330000000005e-10 3.18631e-10 3.168077e-10 3.1487090000000005e-10 3.128054e-10 3.105931e-10 3.082114e-10 3.056321e-10 3.028196e-10 2.997274e-10 2.9629360000000003e-10 2.924334e-10 2.8802560000000003e-10 2.828887e-10 2.7673290000000003e-10 2.690512e-10 2.58829e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.05073 1.47817 1.8041 2.05039 2.22235 2.35574 2.47594 2.58572 2.68675 2.78105 2.86905 2.9477 3.01451 3.06951 3.11437 3.1508 3.18006 3.20316 3.22099 3.23432 3.24383 3.25004 3.25346 3.25453 3.25404 3.25244 3.24964 3.24545 3.23966 3.23198 3.22189 3.20847 3.1903 3.16524 3.12988 3.07845 3.00059 2.87972 2.68756 2.36926 1.80373 0.739012 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.683455040773184e-19 2.368289415567936e-19 2.8904868415852804e-19 3.2850869215221125e-19 3.56059721323488e-19 3.774311552683392e-19 3.9668931825035524e-19 4.142780131934976e-19 4.3046480359344003e-19 4.455733291275841e-19 4.596724833906241e-19 4.72273602513216e-19 4.829777445167808e-19 4.917897159311808e-19 4.989770802520896e-19 5.04813809681664e-19 5.095017784741248e-19 5.1320280646817285e-19 5.160594873830592e-19 5.181951888185856e-19 5.1971885878496645e-19 5.207138104664832e-19 5.212617548707969e-19 5.214331877692224e-19 5.213546811148032e-19 5.210983328554752e-19 5.206497234016512e-19 5.19978411397536e-19 5.190507511340929e-19 5.178202794893184e-19 5.162036832789313e-19 5.140535622538177e-19 5.111424073338241e-19 5.071273527220992e-19 5.014620561909504e-19 4.93222061830176e-19 4.807475146606272e-19 4.613820058450176e-19 4.305945798997248e-19 3.795972980596608e-19 2.8898940362355843e-19 1.1840277488906496e-19 ] } }