{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.419766 0.856347 ] [ 0.5 0.580234 0.143653 ] [ 0 0.919766 0.643653 ] [ 0 0.080234 0.356347 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.440602 0.749255 ] [ 0 0.559398 0.250745 ] [ 0.5 0.940602 0.750745 ] [ 0.5 0.059398 0.249255 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "S" "S" "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" 3.87512125 "source-unit" "angstrom" } "b" { "source-value" 3.90866598 "source-unit" "angstrom" } "c" { "source-value" 12.09581898 "source-unit" "angstrom" } }