{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.806272 0.050164 0.197536 ] [ 0.193728 0.550164 0.302464 ] [ 0.193728 0.949836 0.802464 ] [ 0.806272 0.449836 0.697536 ] [ 0.412942 0.155737 0.441383 ] [ 0.587058 0.655737 0.058617 ] [ 0.587058 0.844263 0.558617 ] [ 0.412942 0.344263 0.941383 ] [ 0.411927 0.616106 0.719695 ] [ 0.588073 0.116106 0.780305 ] [ 0.588073 0.383894 0.280305 ] [ 0.411927 0.883894 0.219695 ] [ 0.076997 0.227102 0.498064 ] [ 0.923003 0.727102 0.001936 ] [ 0.923003 0.772898 0.501936 ] [ 0.076997 0.272898 0.998064 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Cu" "Cu" "Cu" "Cu" "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" 6.44115088283 "source-unit" "angstrom" } "b" { "source-value" 7.06739 "source-unit" "angstrom" } "c" { "source-value" 6.77023264971 "source-unit" "angstrom" } "beta" { "source-value" 97.7462897917 "source-unit" "degree" } }