{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14816 7.602204 7.263842 7.018004 6.824805 6.665631 6.530273 6.412523 6.308323 6.214874 6.130163 6.052695 5.981328 5.915172 5.853516 5.795787 5.741516 5.69031 5.641842 5.595835 5.552049 5.510282 5.470354 5.43211 5.406075 5.378674 5.349756 5.319143 5.286624 5.251945 5.214801 5.174812 5.131507 5.084285 5.032367 4.974715 4.909902 4.835896 4.749649 4.646293 4.517319 4.34569 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.148160000000001e-10 7.602204000000001e-10 7.263842e-10 7.018004e-10 6.824805e-10 6.665631000000001e-10 6.530273e-10 6.412523e-10 6.308323e-10 6.214874e-10 6.130163e-10 6.052695e-10 5.981328e-10 5.915172000000001e-10 5.853516e-10 5.795787e-10 5.741516e-10 5.690310000000001e-10 5.641842e-10 5.595835e-10 5.552049e-10 5.510282000000001e-10 5.470354000000001e-10 5.43211e-10 5.406075000000001e-10 5.378674e-10 5.349756e-10 5.319143000000001e-10 5.286624e-10 5.251945e-10 5.214801e-10 5.174812e-10 5.131507e-10 5.084285e-10 5.032367e-10 4.974715e-10 4.909902e-10 4.835896000000001e-10 4.749649e-10 4.646293e-10 4.517319e-10 4.34569e-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 0 0 0 0 0.0581053 0.497703 1.20415 2.00086 2.76119 3.40857 3.90538 4.24068 4.42023 4.48066 4.52247 4.55661 4.58361 4.60393 4.61801 4.62621 4.62887 4.62759 4.62337 4.61558 4.60338 4.58574 4.5613 4.52828 4.48432 4.42618 4.34938 4.24751 4.11113 3.92578 3.66824 3.29885 2.74415 1.85158 0.244645 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 9.309495397156019e-21 7.974081172717019e-20 1.9292609938311e-19 3.2057311399052396e-19 4.42391410003446e-19 5.46113120935338e-19 6.25710858289092e-19 6.79431840827112e-19 7.08198922290582e-19 7.17880875689844e-19 7.24579576196598e-19 7.300494072250739e-19 7.343752841368739e-19 7.37630907057162e-19 7.398867717578339e-19 7.41200556597714e-19 7.41626735582358e-19 7.414216569732059e-19 7.40745538433658e-19 7.394974428357719e-19 7.375427873422919e-19 7.34716547759916e-19 7.3080082806641995e-19 7.255104408209519e-19 7.18467272337888e-19 7.091522173878119e-19 6.96847500838692e-19 6.805261274681339e-19 6.58675642533642e-19 6.2897929862245195e-19 5.877168415904159e-19 5.2853403890708995e-19 4.3966130101911e-19 2.96655821198172e-19 3.9196450262492995e-20 ] } }