{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.698107 0.038426 ] [ 0.75 0.740699 0.838683 ] [ 0.25 0.240699 0.661317 ] [ 0.25 0.259301 0.161317 ] [ 0.25 0.801893 0.538426 ] [ 0.75 0.759301 0.338683 ] [ 0.75 0.301893 0.961574 ] [ 0.75 0.198107 0.461574 ] [ 0.75 0.551736 0.179924 ] [ 0.75 0.490155 0.599903 ] [ 0.25 0.448264 0.820076 ] [ 0.75 0.009845 0.099903 ] [ 0.25 0.051736 0.320076 ] [ 0.25 0.990155 0.900097 ] [ 0.75 0.948264 0.679924 ] [ 0.25 0.509845 0.400097 ] [ 0.25 0.128494 0.530742 ] [ 0.75 0.871506 0.469258 ] [ 0.75 0.628494 0.969258 ] [ 0.25 0.371506 0.030742 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Gd" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.97490752 "source-unit" "angstrom" } "b" { "source-value" 7.10299493 "source-unit" "angstrom" } "c" { "source-value" 16.26515148 "source-unit" "angstrom" } }