{ "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" [ [ 0.666667 0.333333 0.642707 ] [ 0.333333 0.666667 0.955094 ] [ 0.333333 0.666667 0.142707 ] [ 0 0 0.891963 ] [ 0 0 0.391963 ] [ 0.666667 0.333333 0.455094 ] [ 0.666667 0.333333 0.191843 ] [ 0.333333 0.666667 0.691843 ] [ 0.835054 0.164946 0.051941 ] [ 0.835054 0.670108 0.051941 ] [ 0.670108 0.835054 0.551941 ] [ 0.329892 0.164946 0.051941 ] [ 0.164946 0.835054 0.551941 ] [ 0 0 0.1819 ] [ 0.498122 0.501878 0.297309 ] [ 0.498122 0.996244 0.297309 ] [ 0 0 0.6819 ] [ 0.164946 0.329892 0.551941 ] [ 0.501878 0.003756 0.797309 ] [ 0.333333 0.666667 0.425359 ] [ 0.996244 0.498122 0.797309 ] [ 0.501878 0.498122 0.797309 ] [ 0.003756 0.501878 0.297309 ] [ 0.666667 0.333333 0.925359 ] [ 0.517822 0.035644 0.992371 ] [ 0.964356 0.482178 0.992371 ] [ 0.852396 0.704793 0.611113 ] [ 0.666667 0.333333 0.348157 ] [ 0.482178 0.517822 0.492371 ] [ 0.482178 0.964356 0.492371 ] [ 0.035644 0.517822 0.492371 ] [ 0.333333 0.666667 0.848157 ] [ 0.184916 0.815084 0.358346 ] [ 0.184916 0.369833 0.358346 ] [ 0.821106 0.178894 0.235364 ] [ 0.178894 0.821106 0.735364 ] [ 0.704793 0.852396 0.111113 ] [ 0.147604 0.852396 0.111113 ] [ 0.178894 0.357789 0.735364 ] [ 0.815084 0.184916 0.858346 ] [ 0.333333 0.666667 0.606927 ] [ 0 0 0.997287 ] [ 0.295207 0.147604 0.611113 ] [ 0.517822 0.482178 0.992371 ] [ 0.333333 0.666667 0.246333 ] [ 0.630167 0.815084 0.358346 ] [ 0.642211 0.821106 0.735364 ] [ 0.369833 0.184916 0.858346 ] [ 0.666667 0.333333 0.106927 ] [ 0.852396 0.147604 0.611113 ] [ 0.666667 0.333333 0.746333 ] [ 0.147604 0.295207 0.111113 ] [ 0 0 0.497287 ] [ 0.821106 0.642211 0.235364 ] [ 0.357789 0.178894 0.235364 ] [ 0.815084 0.630167 0.858346 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Be" "Be" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "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" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 5.72392932399 "source-unit" "angstrom" } "c" { "source-value" 18.5669745 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 7.16010544375 "source-unit" "eV" } }