{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P3_121" } "basis-atom-coordinates" { "source-value" [ [ 0.536745 0 0.333333 ] [ 0 0.536745 0.666667 ] [ 0.463255 0.463255 0 ] [ 0.540996 0 0.833333 ] [ 0.459004 0.459004 0.5 ] [ 0 0.540996 0.166667 ] [ 0.27392 0.869688 0.7054 ] [ 0.690986 0.605504 0.110148 ] [ 0.394496 0.085482 0.443481 ] [ 0.595768 0.72608 0.372066 ] [ 0.869688 0.27392 0.2946 ] [ 0.130312 0.404232 0.038733 ] [ 0.72608 0.595768 0.627934 ] [ 0.404232 0.130312 0.961267 ] [ 0.085482 0.394496 0.556519 ] [ 0.605504 0.690986 0.889852 ] [ 0.309014 0.914518 0.223185 ] [ 0.914518 0.309014 0.776815 ] ] } "species" { "source-value" [ "B" "B" "B" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.63712973263 "source-unit" "angstrom" } "c" { "source-value" 10.52237039 "source-unit" "angstrom" } }