{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ibam" } "basis-atom-coordinates" { "source-value" [ [ 0.228353 0.375667 0 ] [ 0.728353 0.124333 0 ] [ 0.271647 0.875667 0 ] [ 0.771647 0.624333 0 ] [ 0.728353 0.875667 0.5 ] [ 0.228353 0.624333 0.5 ] [ 0.771647 0.375667 0.5 ] [ 0.271647 0.124333 0.5 ] [ 0.5 0.22546 0.25 ] [ 0.5 0.77454 0.25 ] [ 0.5 0.77454 0.75 ] [ 0.5 0.22546 0.75 ] [ 0 0.72546 0.75 ] [ 0 0.27454 0.75 ] [ 0 0.27454 0.25 ] [ 0 0.72546 0.25 ] [ 0 0 0.75 ] [ 0 0 0.25 ] [ 0.5 0.5 0.25 ] [ 0.5 0.5 0.75 ] [ 0.229625 0.132185 0.851178 ] [ 0.229625 0.867815 0.648822 ] [ 0.770375 0.132185 0.648822 ] [ 0.770375 0.867815 0.851178 ] [ 0.770375 0.867815 0.148822 ] [ 0.770375 0.132185 0.351178 ] [ 0.229625 0.132185 0.148822 ] [ 0.229625 0.867815 0.351178 ] [ 0.729625 0.632185 0.351178 ] [ 0.729625 0.367815 0.148822 ] [ 0.270375 0.632185 0.148822 ] [ 0.270375 0.367815 0.351178 ] [ 0.270375 0.367815 0.648822 ] [ 0.270375 0.632185 0.851178 ] [ 0.729625 0.632185 0.648822 ] [ 0.729625 0.367815 0.851178 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "S" "S" "S" "S" "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" 5.48068986513 "source-unit" "angstrom" } "b" { "source-value" 11.7551687077 "source-unit" "angstrom" } "c" { "source-value" 13.8579823075 "source-unit" "angstrom" } }