{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0 0.892769 0.499451 ] [ 0 0.107231 0.999451 ] [ 0.5 0.392769 0.499451 ] [ 0.5 0.607231 0.999451 ] [ 0 0.845362 0.011778 ] [ 0 0.154638 0.511778 ] [ 0.5 0.345362 0.011778 ] [ 0.5 0.654638 0.511778 ] [ 0.5 0.123156 0.312431 ] [ 0.5 0.876844 0.812431 ] [ 0.5 0.855102 0.203574 ] [ 0.5 0.144898 0.703574 ] [ 0 0.623156 0.312431 ] [ 0 0.376844 0.812431 ] [ 0 0.355102 0.203574 ] [ 0 0.644898 0.703574 ] [ 0 0.006184 0.763932 ] [ 0.5 0.753838 0.638827 ] [ 0.5 0.246162 0.138827 ] [ 0 0.993816 0.263932 ] [ 0.5 0.755285 0.355878 ] [ 0.5 0.087865 0.489529 ] [ 0.5 0.912135 0.989529 ] [ 0.5 0.244715 0.855878 ] [ 0.5 0.506184 0.763932 ] [ 0 0.253838 0.638827 ] [ 0 0.746162 0.138827 ] [ 0.5 0.493816 0.263932 ] [ 0 0.255285 0.355878 ] [ 0 0.587865 0.489529 ] [ 0 0.412135 0.989529 ] [ 0 0.744715 0.855878 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cu" "Cu" "Cu" "Cu" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 4.08622894 "source-unit" "angstrom" } "b" { "source-value" 14.38549004 "source-unit" "angstrom" } "c" { "source-value" 14.79169464 "source-unit" "angstrom" } }