{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.865148 0 ] [ 0 0.134852 0 ] [ 0.5 0.365148 0 ] [ 0.5 0.634852 0 ] [ 0.5 0.782626 0.5 ] [ 0.5 0.217374 0.5 ] [ 0.5 0 0.5 ] [ 0 0.282626 0.5 ] [ 0 0.717374 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0.894827 0.5 ] [ 0.5 0.105173 0.5 ] [ 0 0.394827 0.5 ] [ 0 0.605173 0.5 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.42239208634 "source-unit" "angstrom" } "b" { "source-value" 13.7091750497 "source-unit" "angstrom" } "c" { "source-value" 3.7198857 "source-unit" "angstrom" } }