{ "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" [ [ 0.75 0.811231 0.566998 ] [ 0.25 0.311231 0.933002 ] [ 0.25 0.188769 0.433002 ] [ 0.75 0.688769 0.066998 ] [ 0.75 0.31301 0.685849 ] [ 0.75 0.18699 0.185849 ] [ 0.25 0.68699 0.314151 ] [ 0.25 0.81301 0.814151 ] [ 0.0048 0.323132 0.424986 ] [ 0.25 0.051331 0.276989 ] [ 0.4952 0.176868 0.924986 ] [ 0.75 0.948669 0.723011 ] [ 0.5048 0.823132 0.075014 ] [ 0.75 0.551331 0.223011 ] [ 0.9952 0.823132 0.075014 ] [ 0.4952 0.323132 0.424986 ] [ 0.75 0.928757 0.400203 ] [ 0.0048 0.176868 0.924986 ] [ 0.25 0.428757 0.099797 ] [ 0.75 0.571243 0.900203 ] [ 0.25 0.071243 0.599797 ] [ 0.9952 0.676868 0.575014 ] [ 0.5048 0.676868 0.575014 ] [ 0.25 0.448669 0.776989 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "In" "In" "In" "In" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.14881036 "source-unit" "angstrom" } "b" { "source-value" 9.43730336 "source-unit" "angstrom" } "c" { "source-value" 11.02026238 "source-unit" "angstrom" } }