{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.14796 0.85204 0.539602 ] [ 0.295919 0.14796 0.039602 ] [ 0.85204 0.704081 0.039602 ] [ 0.14796 0.295919 0.539602 ] [ 0.704081 0.85204 0.539602 ] [ 0.85204 0.14796 0.039602 ] [ 0.531057 0.468943 0.370529 ] [ 0.062114 0.531057 0.870529 ] [ 0.468943 0.937886 0.870529 ] [ 0.531057 0.062114 0.370529 ] [ 0.937886 0.468943 0.370529 ] [ 0.468943 0.531057 0.870529 ] [ 0.333333 0.666667 0.251459 ] [ 0.666667 0.333333 0.751459 ] [ 0.333333 0.666667 0.600775 ] [ 0.666667 0.333333 0.100775 ] [ 0.185837 0.814163 0.143224 ] [ 0.371673 0.185837 0.643224 ] [ 0.814163 0.628327 0.643224 ] [ 0.185837 0.371673 0.143224 ] [ 0.628327 0.814163 0.143224 ] [ 0.814163 0.185837 0.643224 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Mn" "Mn" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "a" { "source-value" 9.42087289187 "source-unit" "angstrom" } "c" { "source-value" 7.27488185 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 3.801668990909091 "source-unit" "eV" } }