{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.219849 0.913572 ] [ 0.75 0.280151 0.413572 ] [ 0.25 0.719849 0.586428 ] [ 0.75 0.780151 0.086428 ] [ 0.75 0.137064 0.068262 ] [ 0.25 0.362936 0.568262 ] [ 0.75 0.637064 0.431738 ] [ 0.25 0.862936 0.931738 ] [ 0.75 0.042842 0.660754 ] [ 0.25 0.457158 0.160754 ] [ 0.75 0.542842 0.839246 ] [ 0.25 0.957158 0.339246 ] ] } "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" 3.79164631 "source-unit" "angstrom" } "b" { "source-value" 6.37656803 "source-unit" "angstrom" } "c" { "source-value" 7.38875823 "source-unit" "angstrom" } }