{ "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" [ [ 0.25 0.295332 0.113118 ] [ 0.75 0.795332 0.386882 ] [ 0.25 0.204668 0.613118 ] [ 0.75 0.704668 0.886882 ] [ 0.75 0.490234 0.114653 ] [ 0.25 0.990234 0.385347 ] [ 0.75 0.009766 0.614653 ] [ 0.25 0.509766 0.885347 ] [ 0.75 0.981144 0.126656 ] [ 0.25 0.481144 0.373344 ] [ 0.75 0.518856 0.626656 ] [ 0.25 0.018856 0.873344 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.98287904 "source-unit" "angstrom" } "b" { "source-value" 5.93697887 "source-unit" "angstrom" } "c" { "source-value" 8.20815068 "source-unit" "angstrom" } }