{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.071026 0.88989 ] [ 0 0.928974 0.11011 ] [ 0 0.928974 0.38989 ] [ 0 0.071026 0.61011 ] [ 0.5 0.89233 0.75 ] [ 0.5 0.10767 0.25 ] [ 0.5 0.571026 0.88989 ] [ 0.5 0.428974 0.11011 ] [ 0.5 0.428974 0.38989 ] [ 0.5 0.571026 0.61011 ] [ 0 0.39233 0.75 ] [ 0 0.60767 0.25 ] [ 0.5 0.177882 0.75 ] [ 0.5 0.822118 0.25 ] [ 0.5 0.141301 0.450403 ] [ 0.5 0.858699 0.549597 ] [ 0.5 0.858699 0.950403 ] [ 0.5 0.141301 0.049597 ] [ 0 0.677882 0.75 ] [ 0 0.322118 0.25 ] [ 0 0.641301 0.450403 ] [ 0 0.358699 0.549597 ] [ 0 0.358699 0.950403 ] [ 0 0.641301 0.049597 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 3.87798631 "source-unit" "angstrom" } "b" { "source-value" 10.91630392 "source-unit" "angstrom" } "c" { "source-value" 14.54583017 "source-unit" "angstrom" } }