{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.012029 0.954977 0.25 ] [ 0.512029 0.545023 0.75 ] [ 0.487971 0.454977 0.25 ] [ 0.987971 0.045023 0.75 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.897876 0.535075 0.25 ] [ 0.397876 0.964925 0.75 ] [ 0.602124 0.035075 0.25 ] [ 0.102124 0.464925 0.75 ] [ 0.703471 0.29669 0.945551 ] [ 0.203471 0.20331 0.054449 ] [ 0.796529 0.79669 0.554449 ] [ 0.296529 0.70331 0.445551 ] [ 0.296529 0.70331 0.054449 ] [ 0.796529 0.79669 0.945551 ] [ 0.203471 0.20331 0.445551 ] [ 0.703471 0.29669 0.554449 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Sc" "Sc" "Sc" "Sc" "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" 5.70395112 "source-unit" "angstrom" } "b" { "source-value" 5.83569072 "source-unit" "angstrom" } "c" { "source-value" 8.15251789 "source-unit" "angstrom" } }