{ "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" [ [ 0.25 0.330022 0.33598 ] [ 0.75 0.669978 0.66402 ] [ 0.25 0.830022 0.16402 ] [ 0.75 0.169978 0.83598 ] [ 0.75 0.53496 0.11099 ] [ 0.25 0.96504 0.61099 ] [ 0.25 0.46504 0.88901 ] [ 0.75 0.03496 0.38901 ] [ 0.25 0.647512 0.430443 ] [ 0.75 0.352488 0.569557 ] [ 0.25 0.147512 0.069557 ] [ 0.75 0.852488 0.930443 ] [ 0.75 0.937554 0.103419 ] [ 0.25 0.062446 0.896581 ] [ 0.25 0.237106 0.480389 ] [ 0.25 0.562446 0.603419 ] [ 0.75 0.720858 0.219706 ] [ 0.75 0.601296 0.81171 ] [ 0.75 0.762894 0.519611 ] [ 0.75 0.101296 0.68829 ] [ 0.25 0.737106 0.019611 ] [ 0.75 0.262894 0.980389 ] [ 0.25 0.279142 0.780294 ] [ 0.25 0.398704 0.18829 ] [ 0.75 0.220858 0.280294 ] [ 0.75 0.437554 0.396581 ] [ 0.25 0.898704 0.31171 ] [ 0.25 0.779142 0.719706 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Bi" "Bi" "Bi" "Bi" "Sb" "Sb" "Sb" "Sb" "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" 3.65269513 "source-unit" "angstrom" } "b" { "source-value" 11.58765581 "source-unit" "angstrom" } "c" { "source-value" 13.842758 "source-unit" "angstrom" } }