{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.340712 0 0.822757 ] [ 0.659288 0 0.177243 ] [ 0.840712 0 0.677243 ] [ 0.159288 0 0.322757 ] [ 0.840712 0.5 0.822757 ] [ 0.159288 0.5 0.177243 ] [ 0.340712 0.5 0.677243 ] [ 0.659288 0.5 0.322757 ] [ 0 0.209393 0 ] [ 0 0.709393 0.5 ] [ 0 0.290607 0.5 ] [ 0 0.790607 0 ] [ 0.5 0.709393 0 ] [ 0.5 0.209393 0.5 ] [ 0.5 0.790607 0.5 ] [ 0.5 0.290607 0 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" 6.60600465323 "source-unit" "angstrom" } "b" { "source-value" 11.2259052171 "source-unit" "angstrom" } "c" { "source-value" 6.52694649 "source-unit" "angstrom" } }