{ "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 0.466596 0.859054 ] [ 0.25 0.533404 0.140946 ] [ 0.25 0.966596 0.640946 ] [ 0.75 0.033404 0.359054 ] [ 0.25 0.17181 0.966038 ] [ 0.75 0.82819 0.033962 ] [ 0.75 0.67181 0.533962 ] [ 0.25 0.32819 0.466038 ] [ 0.75 0.057165 0.875896 ] [ 0.25 0.942835 0.124104 ] [ 0.25 0.557165 0.624104 ] [ 0.75 0.442835 0.375896 ] [ 0.75 0.375107 0.045291 ] [ 0.25 0.624893 0.954709 ] [ 0.25 0.875107 0.454709 ] [ 0.75 0.124893 0.545291 ] [ 0.25 0.18794 0.3008 ] [ 0.75 0.81206 0.6992 ] [ 0.75 0.68794 0.1992 ] [ 0.25 0.31206 0.8008 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "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" 3.8703401 "source-unit" "angstrom" } "b" { "source-value" 11.23080103 "source-unit" "angstrom" } "c" { "source-value" 12.13389725 "source-unit" "angstrom" } }