{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.663019 0.99381 ] [ 0.5 0.336981 0.00619 ] [ 0 0.163019 0.50619 ] [ 0 0.836981 0.49381 ] [ 0 0.977127 0.751383 ] [ 0 0.022873 0.248617 ] [ 0.5 0.477127 0.748617 ] [ 0.5 0.522873 0.251383 ] [ 0 0.876874 0.942947 ] [ 0 0.123126 0.057053 ] [ 0.5 0.376874 0.557053 ] [ 0.5 0.623126 0.442947 ] [ 0 0.653697 0.650193 ] [ 0 0.346303 0.349807 ] [ 0.5 0.153697 0.849807 ] [ 0.5 0.846303 0.150193 ] [ 0.5 0.764982 0.799919 ] [ 0.5 0.235018 0.200081 ] [ 0 0.264982 0.700081 ] [ 0 0.735018 0.299919 ] [ 0.5 0.987077 0.605921 ] [ 0.5 0.012923 0.394079 ] [ 0 0.487077 0.894079 ] [ 0 0.512923 0.105921 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Bi" "Bi" "Bi" "Bi" "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" 4.06119603 "source-unit" "angstrom" } "b" { "source-value" 10.41295148 "source-unit" "angstrom" } "c" { "source-value" 15.69211875 "source-unit" "angstrom" } }