{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmca" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.359082 0.402031 ] [ 0.75 0.640918 0.597969 ] [ 0.75 0.359082 0.097969 ] [ 0.25 0.640918 0.902031 ] [ 0.25 0.846221 0.365314 ] [ 0.75 0.846221 0.134686 ] [ 0.75 0.153779 0.634686 ] [ 0.25 0.153779 0.865314 ] [ 0.5 0.26879 0.75 ] [ 0 0.73121 0.25 ] [ 0.5 0.73121 0.25 ] [ 0 0.26879 0.75 ] [ 0.25 0.719795 0.544432 ] [ 0.25 0.280205 0.044432 ] [ 0.75 0.719795 0.955568 ] [ 0.75 0.280205 0.455568 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.61003391 "source-unit" "angstrom" } "b" { "source-value" 7.66131 "source-unit" "angstrom" } "c" { "source-value" 7.93463002 "source-unit" "angstrom" } }