{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.7586 0.58382 ] [ 0.25 0.7414 0.08382 ] [ 0.75 0.2586 0.91618 ] [ 0.25 0.2414 0.41618 ] [ 0.75 0.915287 0.238573 ] [ 0.25 0.584713 0.738573 ] [ 0.75 0.415287 0.261427 ] [ 0.25 0.084713 0.761427 ] [ 0.984169 0.910313 0.323418 ] [ 0.015831 0.589687 0.823418 ] [ 0.515831 0.410313 0.176582 ] [ 0.484169 0.089687 0.676582 ] [ 0.015831 0.089687 0.676582 ] [ 0.984169 0.410313 0.176582 ] [ 0.484169 0.589687 0.823418 ] [ 0.515831 0.910313 0.323418 ] [ 0.75 0.901945 0.071037 ] [ 0.25 0.598055 0.571037 ] [ 0.75 0.401945 0.428963 ] [ 0.25 0.098055 0.928963 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "B" "B" "B" "B" "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" 5.09553317 "source-unit" "angstrom" } "b" { "source-value" 5.8374719 "source-unit" "angstrom" } "c" { "source-value" 8.22929168 "source-unit" "angstrom" } }