{ "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" [ "B" "B" "B" "B" ] } "a" { "source-value" [ 4.18572 3.905261 3.731444 3.605157 3.50591 3.424142 3.354609 3.29412 3.240592 3.192587 3.149071 3.109276 3.072615 3.03863 3.006957 2.977302 2.949422 2.923118 2.89822 2.874586 2.852093 2.830637 2.810126 2.79048 2.777106 2.763029 2.748174 2.732448 2.715743 2.697928 2.678847 2.658305 2.636058 2.6118 2.58513 2.555513 2.522219 2.484202 2.439896 2.386802 2.320547 2.23238 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.18572e-10 3.905261e-10 3.731444e-10 3.6051570000000004e-10 3.5059100000000004e-10 3.424142e-10 3.3546090000000003e-10 3.29412e-10 3.240592e-10 3.1925870000000004e-10 3.149071e-10 3.109276e-10 3.072615e-10 3.03863e-10 3.006957e-10 2.977302e-10 2.9494220000000005e-10 2.923118e-10 2.89822e-10 2.874586e-10 2.852093e-10 2.830637e-10 2.810126e-10 2.79048e-10 2.777106e-10 2.763029e-10 2.7481740000000004e-10 2.732448e-10 2.715743e-10 2.697928e-10 2.678847e-10 2.658305e-10 2.636058e-10 2.6118e-10 2.58513e-10 2.555513e-10 2.522219e-10 2.4842019999999997e-10 2.4398960000000003e-10 2.386802e-10 2.320547e-10 2.23238e-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 0 0 0.134064 1.90088 3.12925 4.02086 4.66781 5.11123 5.39054 5.53975 5.63166 5.71158 5.78067 5.83992 5.89015 5.93208 5.96631 5.9934 6.0138 6.02793 6.03617 6.03885 6.03756 6.03331 6.02545 6.01315 5.99534 5.97064 5.93722 5.89266 5.83362 5.75548 5.65158 5.51206 5.3218 5.0497 4.58486 3.84026 2.70996 0.826632 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 2.1479420826057596e-20 3.0455455200379195e-19 5.013611231944499e-19 6.442127940585239e-19 7.478656113951539e-19 8.18909327699982e-19 8.636597232642359e-19 8.8756580082015e-19 9.022914062632439e-19 9.15096001922172e-19 9.26165440286478e-19 9.356583368429279e-19 9.4370607007551e-19 9.50423996701872e-19 9.55908247320054e-19 9.6024854382156e-19 9.6351698415492e-19 9.657808597387618e-19 9.67101053285178e-19 9.6753043662309e-19 9.67323755837304e-19 9.66642830767854e-19 9.6538351993353e-19 9.6341284267371e-19 9.605593660885559e-19 9.56601989802576e-19 9.51247515491748e-19 9.44108216410644e-19 9.346489655635078e-19 9.22129557345432e-19 9.054829421181719e-19 8.83129373720604e-19 8.526463610821199e-19 8.090511348709799e-19 7.345755562161239e-19 6.152774840484839e-19 4.34183459107464e-19 1.3244104753166879e-19 ] } }