{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.351629 0.930763 ] [ 0.75 0.851629 0.569237 ] [ 0.25 0.148371 0.430763 ] [ 0.25 0.648371 0.069237 ] [ 0.25 0.014041 0.801319 ] [ 0.75 0.485959 0.301319 ] [ 0.75 0.985959 0.198681 ] [ 0.25 0.514041 0.698681 ] [ 0.75 0.732887 0.896119 ] [ 0.25 0.267113 0.103881 ] [ 0.25 0.767113 0.396119 ] [ 0.75 0.232887 0.603881 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ca" "Ca" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.72900726 "source-unit" "angstrom" } "b" { "source-value" 7.84102308 "source-unit" "angstrom" } "c" { "source-value" 8.60674496 "source-unit" "angstrom" } }