{ "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 0 ] [ 0 0.303793 0 ] [ 0 0.696207 0 ] [ 0.5 0.5 0 ] [ 0.5 0.803793 0 ] [ 0.5 0.196207 0 ] [ 0.190828 0.85331 0 ] [ 0.190828 0.14669 0 ] [ 0 0 0.5 ] [ 0 0.314208 0.5 ] [ 0 0.685792 0.5 ] [ 0.809172 0.85331 0 ] [ 0.809172 0.14669 0 ] [ 0.690828 0.35331 0 ] [ 0.690828 0.64669 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.814208 0.5 ] [ 0.5 0.185792 0.5 ] [ 0.309172 0.35331 0 ] [ 0.309172 0.64669 0 ] [ 0 0.5 0 ] [ 0.5 0 0 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.48928846 "source-unit" "angstrom" } "b" { "source-value" 10.99731776 "source-unit" "angstrom" } "c" { "source-value" 3.83491654 "source-unit" "angstrom" } }