{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-6c2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0 0.75 ] [ 0.333333 0.666667 0.601381 ] [ 0.333333 0.666667 0.398619 ] [ 0.333333 0.666667 0.101381 ] [ 0.333333 0.666667 0.898619 ] [ 0.666667 0.333333 0.135516 ] [ 0.666667 0.333333 0.364484 ] [ 0.666667 0.333333 0.864484 ] [ 0.666667 0.333333 0.635516 ] [ 0.975535 0.36881 0.636587 ] [ 0.393275 0.024465 0.636587 ] [ 0.63119 0.606725 0.636587 ] [ 0.975535 0.606725 0.363413 ] [ 0.393275 0.36881 0.363413 ] [ 0.63119 0.606725 0.863413 ] [ 0.63119 0.024465 0.136587 ] [ 0.393275 0.024465 0.863413 ] [ 0.63119 0.024465 0.363413 ] [ 0.333333 0.666667 0.5 ] [ 0.393275 0.36881 0.136587 ] [ 0.975535 0.606725 0.136587 ] [ 0.975535 0.36881 0.863413 ] [ 0.333333 0.666667 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Be" "Be" "Be" "Be" "B" "B" "B" "B" "O" "O" "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" 4.73032695375 "source-unit" "angstrom" } "c" { "source-value" 15.59167627 "source-unit" "angstrom" } }