{ "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 0.398022 0.148894 ] [ 0 0.601978 0.851106 ] [ 0.5 0.898022 0.351106 ] [ 0.5 0.101978 0.648894 ] [ 0 0.050935 0.150686 ] [ 0 0.949065 0.849314 ] [ 0.5 0.550935 0.349314 ] [ 0.5 0.449065 0.650686 ] [ 0 0.274025 0.814396 ] [ 0 0.725975 0.185604 ] [ 0.5 0.774025 0.685604 ] [ 0.5 0.225975 0.314396 ] [ 0 0.330799 0.478068 ] [ 0 0.669201 0.521932 ] [ 0.5 0.830799 0.021932 ] [ 0.5 0.169201 0.978068 ] [ 0 0.676627 0.045809 ] [ 0 0.323373 0.954191 ] [ 0.5 0.176627 0.454191 ] [ 0.5 0.823373 0.545809 ] [ 0 0.308527 0.62847 ] [ 0 0.691473 0.37153 ] [ 0.5 0.808527 0.87153 ] [ 0.5 0.191473 0.12847 ] [ 0 0.389429 0.332586 ] [ 0 0.610571 0.667414 ] [ 0.5 0.889429 0.167414 ] [ 0.5 0.110571 0.832586 ] [ 0 0.089124 0.293123 ] [ 0 0.910876 0.706877 ] [ 0.5 0.589124 0.206877 ] [ 0.5 0.410876 0.793123 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22804765 "source-unit" "angstrom" } "b" { "source-value" 12.72809196 "source-unit" "angstrom" } "c" { "source-value" 19.05364256 "source-unit" "angstrom" } }