{ "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 0.506888 0.264287 ] [ 0.75 0.006888 0.235713 ] [ 0.25 0.493112 0.735713 ] [ 0.25 0.993112 0.764287 ] [ 0.75 0.310994 0.970294 ] [ 0.25 0.189006 0.470294 ] [ 0.75 0.810994 0.529706 ] [ 0.25 0.689006 0.029706 ] [ 0.25 0.75148 0.669363 ] [ 0.25 0.25148 0.830637 ] [ 0.75 0.24852 0.330637 ] [ 0.75 0.055437 0.613933 ] [ 0.75 0.74852 0.169363 ] [ 0.25 0.444563 0.113933 ] [ 0.25 0.944563 0.386067 ] [ 0.75 0.555437 0.886067 ] [ 0.25 0.575704 0.395129 ] [ 0.75 0.424296 0.604871 ] [ 0.75 0.924296 0.895129 ] [ 0.25 0.075704 0.104871 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Cd" "Bi" "Bi" "Bi" "Bi" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.17112424 "source-unit" "angstrom" } "b" { "source-value" 10.20698912 "source-unit" "angstrom" } "c" { "source-value" 13.42128482 "source-unit" "angstrom" } }