{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.809207 ] [ 0.5 0.5 0.190793 ] [ 0 0 0.309207 ] [ 0 0 0.690793 ] [ 0 0 0.90853 ] [ 0 0 0.09147 ] [ 0.5 0.5 0.40853 ] [ 0.5 0.5 0.59147 ] [ 0.5 0 0.75379 ] [ 0 0.243817 0.93621 ] [ 0 0 0.151101 ] [ 0 0.243817 0.06379 ] [ 0 0.756183 0.93621 ] [ 0 0.756183 0.06379 ] [ 0.5 0 0.24621 ] [ 0 0 0.848899 ] [ 0 0.5 0.25379 ] [ 0.5 0.743817 0.43621 ] [ 0.5 0.5 0.651101 ] [ 0.5 0.743817 0.56379 ] [ 0.5 0.256183 0.43621 ] [ 0.5 0.256183 0.56379 ] [ 0 0.5 0.74621 ] [ 0.5 0.5 0.348899 ] ] } "species" { "source-value" [ "Ca" "Ca" "Bi" "Bi" "Bi" "Bi" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "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" 3.38088261925 "source-unit" "angstrom" } "b" { "source-value" 4.59585074081 "source-unit" "angstrom" } "c" { "source-value" 22.2142861311 "source-unit" "angstrom" } }