{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-62c" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.75 ] [ 0.333333 0.666667 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.571253 ] [ 0.333333 0.666667 0.928747 ] [ 0.666667 0.333333 0.428747 ] [ 0.666667 0.333333 0.071253 ] [ 0.666117 0 0.5 ] [ 0.333883 0.333883 0 ] [ 0.666667 0.333333 0.25 ] [ 0.333333 0.666667 0.75 ] [ 0.666117 0 0 ] [ 0.333883 0.333883 0.5 ] [ 0 0.666117 0.5 ] [ 0 0.666117 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Be" "Be" "Be" "Be" "Be" "Be" "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" 4.62219190649 "source-unit" "angstrom" } "c" { "source-value" 8.98741167 "source-unit" "angstrom" } }