{ "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 0.04392 0.228219 ] [ 0.75 0.95608 0.771781 ] [ 0.75 0.54392 0.271781 ] [ 0.25 0.45608 0.728219 ] [ 0.25 0.321673 0.010591 ] [ 0.75 0.678327 0.989409 ] [ 0.75 0.821673 0.489409 ] [ 0.25 0.178327 0.510591 ] [ 0.25 0.591889 0.491644 ] [ 0.75 0.408111 0.508356 ] [ 0.75 0.091889 0.008356 ] [ 0.25 0.908111 0.991644 ] [ 0.25 0.564596 0.102921 ] [ 0.75 0.435404 0.897079 ] [ 0.75 0.064596 0.397079 ] [ 0.25 0.935404 0.602921 ] [ 0.25 0.382062 0.39567 ] [ 0.75 0.617938 0.60433 ] [ 0.75 0.882062 0.10433 ] [ 0.25 0.117938 0.89567 ] [ 0.25 0.752509 0.361901 ] [ 0.75 0.247491 0.638099 ] [ 0.75 0.252509 0.138099 ] [ 0.25 0.747491 0.861901 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Zr" "Zr" "Zr" "Zr" "Cu" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.861 "source-unit" "angstrom" } "b" { "source-value" 10.36777956 "source-unit" "angstrom" } "c" { "source-value" 13.75665315 "source-unit" "angstrom" } }