{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-potential-energy-hexagonal-crystal" "instance-id" 1 "space-group" { "source-value" "P6_3/m" } "basis-atom-coordinates" { "source-value" [ [ 0.333333 0.666667 0.945378 ] [ 0.666667 0.333333 0.445378 ] [ 0.666667 0.333333 0.054622 ] [ 0.333333 0.666667 0.554622 ] [ 0.362793 0.049367 0.75 ] [ 0.049367 0.686574 0.25 ] [ 0.686574 0.637207 0.75 ] [ 0.313426 0.362793 0.25 ] [ 0.637207 0.950633 0.25 ] [ 0.950633 0.313426 0.75 ] [ 0.823123 0.835431 0.75 ] [ 0.987692 0.823123 0.25 ] [ 0.835431 0.012308 0.25 ] [ 0.164569 0.987692 0.75 ] [ 0.012308 0.176877 0.75 ] [ 0.176877 0.164569 0.25 ] [ 0.138239 0.516743 0.75 ] [ 0.621495 0.138239 0.25 ] [ 0.516743 0.378505 0.25 ] [ 0.483257 0.621495 0.75 ] [ 0.163922 0.718634 0.071291 ] [ 0.445288 0.163922 0.571291 ] [ 0.718634 0.554712 0.571291 ] [ 0.281366 0.445288 0.071291 ] [ 0.554712 0.836078 0.071291 ] [ 0.836078 0.281366 0.571291 ] [ 0.836078 0.281366 0.928709 ] [ 0.554712 0.836078 0.428709 ] [ 0.281366 0.445288 0.428709 ] [ 0.718634 0.554712 0.928709 ] [ 0.445288 0.163922 0.928709 ] [ 0.163922 0.718634 0.428709 ] [ 0.861761 0.483257 0.25 ] [ 0.378505 0.861761 0.75 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "P" "P" "P" "P" "P" "P" "H" "H" "H" "H" "H" "H" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "a" { "source-value" 7.98270063031 "source-unit" "angstrom" } "c" { "source-value" 7.18165955 "source-unit" "angstrom" } "cohesive-potential-energy" { "source-value" 6.667554153823529 "source-unit" "eV" } }