{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.970163 0.63471 0.75 ] [ 0.470163 0.86529 0.25 ] [ 0.529837 0.13471 0.75 ] [ 0.029837 0.36529 0.25 ] [ 0.351552 0.160718 0.439655 ] [ 0.851552 0.339282 0.560345 ] [ 0.148448 0.660718 0.060345 ] [ 0.648448 0.839282 0.939655 ] [ 0.637008 0.54054 0.25 ] [ 0.137008 0.95946 0.75 ] [ 0.862992 0.04054 0.25 ] [ 0.362992 0.45946 0.75 ] [ 0.351552 0.160718 0.060345 ] [ 0.851552 0.339282 0.939655 ] [ 0.148448 0.660718 0.439655 ] [ 0.648448 0.839282 0.560345 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.01044966 "source-unit" "angstrom" } "b" { "source-value" 6.54745772 "source-unit" "angstrom" } "c" { "source-value" 7.10367931 "source-unit" "angstrom" } }