{ "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" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" ] } "a" { "source-value" [ 16.535 15.427087 14.740447 14.241567 13.849507 13.526494 13.251811 13.01286 12.801406 12.611769 12.439864 12.282658 12.137833 12.003581 11.878462 11.761313 11.651179 11.547267 11.448911 11.355547 11.266694 11.181934 11.100908 11.0233 10.944843 10.863992 10.780597 10.694493 10.605498 10.51341 10.418007 10.319042 10.216238 10.109285 9.997835 9.881491 9.759806 9.632263 9.498272 9.357145 9.20808 9.050128 8.882164 8.702832 8.51048 8.30307 8.07804 7.832118 7.561023 7.259009 6.918103 6.526788 6.067523 5.51165 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.6535000000000001e-09 1.5427087000000001e-09 1.4740447e-09 1.4241567e-09 1.3849506999999999e-09 1.3526494e-09 1.3251811000000001e-09 1.3012860000000001e-09 1.2801406e-09 1.2611769e-09 1.2439864e-09 1.2282658e-09 1.2137833000000001e-09 1.2003581e-09 1.1878462e-09 1.1761313e-09 1.1651179000000002e-09 1.1547267e-09 1.1448911000000001e-09 1.1355547e-09 1.1266694e-09 1.1181934e-09 1.1100908e-09 1.10233e-09 1.0944843e-09 1.0863992e-09 1.0780597e-09 1.0694493e-09 1.0605498000000002e-09 1.0513410000000001e-09 1.0418006999999999e-09 1.0319042e-09 1.0216238e-09 1.0109285e-09 9.997835000000001e-10 9.881491e-10 9.759806e-10 9.632263e-10 9.498272e-10 9.357144999999999e-10 9.208080000000001e-10 9.050128000000001e-10 8.882163999999999e-10 8.702832000000001e-10 8.51048e-10 8.30307e-10 8.07804e-10 7.832118000000001e-10 7.561023e-10 7.259009e-10 6.918103000000001e-10 6.526788e-10 6.067523000000001e-10 5.51165e-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" [ 0.000468909 0.0951818 0.259652 0.321221 0.367765 0.402564 0.430065 0.452294 0.470505 0.485588 0.498162 0.508699 0.517546 0.524967 0.53117 0.536321 0.540556 0.543989 0.546718 0.548822 0.550369 0.551419 0.552022 0.552216 0.552013 0.551363 0.550205 0.548466 0.546062 0.542897 0.538858 0.533817 0.527633 0.520509 0.513094 0.506229 0.500971 0.498645 0.500407 0.505539 0.511228 0.513085 0.506961 0.491808 0.46936 0.446398 0.430254 0.412313 0.361098 0.254924 0.0869272 -0.173326 -0.744052 -2.253 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.512750432723059e-23 1.5249805594206118e-20 4.1600836737136794e-20 5.1465278055011394e-20 5.892244898030099e-20 6.44978634489576e-20 6.890400941012099e-20 7.246548784983959e-20 7.538321171801699e-20 7.77997747350792e-20 7.98143516346708e-20 8.15025651539166e-20 8.292001082201639e-20 8.410898610210779e-20 8.5102816268178e-20 8.59280974523514e-20 8.66066192568504e-20 8.715664649530259e-20 8.75938804987212e-20 8.79309784625148e-20 8.817883518779459e-20 8.83470637343646e-20 8.844367498539479e-20 8.84747572120944e-20 8.844223302642419e-20 8.83380915452142e-20 8.8152559490997e-20 8.787394097434439e-20 8.748877771153081e-20 8.698168880686979e-20 8.633456966439719e-20 8.552691242319779e-20 8.453612639273219e-20 8.339473575867059e-20 8.22067217845596e-20 8.11068275253186e-20 8.02644030511614e-20 7.9891736766093e-20 8.01740402890038e-20 8.099627733757259e-20 8.19077556246552e-20 8.2205279825589e-20 8.12241068549274e-20 7.87963286014272e-20 7.5199762493424e-20 7.15208445064332e-20 6.89342905485036e-20 6.605982544944419e-20 5.78542778184132e-20 4.0843327624581593e-20 1.392727286990448e-20 -2.77698867264684e-20 -1.192102728880968e-19 -3.609703956402e-19 ] } }