{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.390074 0.376149 ] [ 0.75 0.609926 0.623851 ] [ 0.25 0.890074 0.123851 ] [ 0.75 0.109926 0.876149 ] [ 0.75 0.338215 0.535094 ] [ 0.25 0.161785 0.035094 ] [ 0.75 0.838215 0.964906 ] [ 0.25 0.661785 0.464906 ] [ 0.25 0.478792 0.816927 ] [ 0.75 0.021208 0.316927 ] [ 0.25 0.978792 0.683073 ] [ 0.75 0.521208 0.183073 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "S" "S" "S" "S" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.20809995 "source-unit" "angstrom" } "b" { "source-value" 8.88705061 "source-unit" "angstrom" } "c" { "source-value" 11.07134203 "source-unit" "angstrom" } }