{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.74896 0.605934 ] [ 0.5 0.25104 0.394066 ] [ 0 0.24896 0.894066 ] [ 0 0.75104 0.105934 ] [ 0.5 0.95933 0.775752 ] [ 0.5 0.04067 0.224248 ] [ 0 0.45933 0.724248 ] [ 0 0.54067 0.275752 ] [ 0.5 0.186819 0.645675 ] [ 0.5 0.813181 0.354325 ] [ 0 0.686819 0.854325 ] [ 0 0.313181 0.145675 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.97721 0.604369 ] [ 0.5 0.02279 0.395631 ] [ 0 0.47721 0.895631 ] [ 0 0.52279 0.104369 ] [ 0.5 0.095165 0.912704 ] [ 0.5 0.904835 0.087296 ] [ 0 0.595165 0.587296 ] [ 0 0.404835 0.412704 ] [ 0.5 0.308549 0.01989 ] [ 0.5 0.691451 0.98011 ] [ 0 0.808549 0.48011 ] [ 0 0.191451 0.51989 ] [ 0.5 0.317383 0.785153 ] [ 0.5 0.682617 0.214847 ] [ 0 0.817383 0.714847 ] [ 0 0.182617 0.285153 ] [ 0 0.112449 0.74834 ] [ 0 0.887551 0.25166 ] [ 0.5 0.612449 0.75166 ] [ 0.5 0.387551 0.24834 ] [ 0 0.112094 0.116975 ] [ 0 0.887906 0.883025 ] [ 0.5 0.612094 0.383025 ] [ 0.5 0.387906 0.616975 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "In" "In" "In" "In" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "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" 4.10094863 "source-unit" "angstrom" } "b" { "source-value" 14.32219997 "source-unit" "angstrom" } "c" { "source-value" 17.58624714 "source-unit" "angstrom" } }