{ "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" [ [ 0.352945 0.75 0.2163 ] [ 0.852945 0.75 0.2837 ] [ 0.647055 0.25 0.7837 ] [ 0.147055 0.25 0.7163 ] [ 0.691678 0.565098 0.058412 ] [ 0.191678 0.934902 0.441588 ] [ 0.308322 0.065098 0.941588 ] [ 0.808322 0.434902 0.558412 ] [ 0.308322 0.434902 0.941588 ] [ 0.808322 0.065098 0.558412 ] [ 0.691678 0.934902 0.058412 ] [ 0.191678 0.565098 0.441588 ] [ 0.47797 0.25 0.48884 ] [ 0.97797 0.25 0.01116 ] [ 0.52203 0.75 0.51116 ] [ 0.02203 0.75 0.98884 ] [ 0.313802 0.25 0.217612 ] [ 0.813802 0.25 0.282388 ] [ 0.686198 0.75 0.782388 ] [ 0.186198 0.75 0.717612 ] [ 0.403941 0.75 0.956901 ] [ 0.903941 0.75 0.543099 ] [ 0.596059 0.25 0.043099 ] [ 0.096059 0.25 0.456901 ] [ 0.564998 0.995981 0.325231 ] [ 0.064998 0.504019 0.174769 ] [ 0.435002 0.495981 0.674769 ] [ 0.935002 0.004019 0.825231 ] [ 0.435002 0.004019 0.674769 ] [ 0.935002 0.495981 0.825231 ] [ 0.564998 0.504019 0.325231 ] [ 0.064998 0.995981 0.174769 ] ] } "species" { "source-value" [ "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "Er" "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" 8.1999092 "source-unit" "angstrom" } "b" { "source-value" 9.48184954 "source-unit" "angstrom" } "c" { "source-value" 11.92862293 "source-unit" "angstrom" } }