{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0.668134 0.62502 0.120425 ] [ 0.37498 0.043115 0.120425 ] [ 0.663832 0.618993 0.626173 ] [ 0.381007 0.044839 0.626173 ] [ 0.044839 0.663832 0.373827 ] [ 0.043115 0.668134 0.879575 ] [ 0.955161 0.336168 0.626173 ] [ 0.956885 0.331866 0.120425 ] [ 0.331866 0.37498 0.879575 ] [ 0.618993 0.955161 0.373827 ] [ 0.336168 0.381007 0.373827 ] [ 0.62502 0.956885 0.879575 ] [ 0.666667 0.333333 0.404019 ] [ 0.666667 0.333333 0.843297 ] [ 0.333333 0.666667 0.595981 ] [ 0.333333 0.666667 0.156703 ] [ 0.15981 0.15974 0.131468 ] [ 0.179303 0.16535 0.629087 ] [ 0.986046 0.820697 0.629087 ] [ 0.99993 0.84019 0.131468 ] [ 0.15974 0.99993 0.868532 ] [ 0.16535 0.986046 0.370913 ] [ 0.84026 0.00007 0.131468 ] [ 0.83465 0.013954 0.629087 ] [ 0.00007 0.15981 0.868532 ] [ 0.013954 0.179303 0.370913 ] [ 0.820697 0.83465 0.370913 ] [ 0.84019 0.84026 0.868532 ] [ 0.270305 0.203116 0.130887 ] [ 0.290255 0.214497 0.623555 ] [ 0.595357 0.443245 0.353025 ] [ 0.598146 0.444881 0.894782 ] [ 0.555119 0.153265 0.894782 ] [ 0.556755 0.152113 0.353025 ] [ 0.666667 0.333333 0.623636 ] [ 0.924242 0.709745 0.623555 ] [ 0.932811 0.729695 0.130887 ] [ 0.847887 0.404643 0.353025 ] [ 0.846735 0.401854 0.894782 ] [ 0.785503 0.075758 0.623555 ] [ 0.203116 0.932811 0.869113 ] [ 0.214497 0.924242 0.376445 ] [ 0.796884 0.067189 0.130887 ] [ 0.152113 0.595357 0.646975 ] [ 0.153265 0.598146 0.105218 ] [ 0.075758 0.290255 0.376445 ] [ 0.067189 0.270305 0.869113 ] [ 0.333333 0.666667 0.376364 ] [ 0.444881 0.846735 0.105218 ] [ 0.443245 0.847887 0.646975 ] [ 0.404643 0.556755 0.646975 ] [ 0.401854 0.555119 0.105218 ] [ 0.709745 0.785503 0.376445 ] [ 0.729695 0.796884 0.869113 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 10.11318575 "source-unit" "angstrom" } "c" { "source-value" 7.54377256 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.391318318888889 "source-unit" "eV" } }