{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnn" } "basis-atom-coordinates" { "source-value" [ [ 0.941201 0 0.75 ] [ 0.558799 0.5 0.75 ] [ 0.058799 0 0.25 ] [ 0.441201 0.5 0.25 ] [ 0.75 0.75 0.999805 ] [ 0.75 0.25 0.500195 ] [ 0.25 0.25 0.000195 ] [ 0.25 0.75 0.499805 ] [ 0.75 0.75 0.570311 ] [ 0.75 0.25 0.929689 ] [ 0.25 0.25 0.429689 ] [ 0.25 0.75 0.070311 ] [ 0.421655 0.937281 0.845989 ] [ 0.421655 0.062719 0.654011 ] [ 0.078345 0.437281 0.654011 ] [ 0.078345 0.562719 0.845989 ] [ 0.578345 0.062719 0.154011 ] [ 0.578345 0.937281 0.345989 ] [ 0.921655 0.562719 0.345989 ] [ 0.921655 0.437281 0.154011 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.69885431 "source-unit" "angstrom" } "b" { "source-value" 6.8957803 "source-unit" "angstrom" } "c" { "source-value" 15.72475752 "source-unit" "angstrom" } }