{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.785487 0.876594 ] [ 0 0.785487 0.123406 ] [ 0 0.214513 0.876594 ] [ 0.5 0.214513 0.123406 ] [ 0 0.285487 0.376594 ] [ 0.5 0.285487 0.623406 ] [ 0.5 0.714513 0.376594 ] [ 0 0.714513 0.623406 ] [ 0 0.427896 0.224767 ] [ 0.5 0.871698 0.076719 ] [ 0 0.128302 0.076719 ] [ 0.5 0.427896 0.775233 ] [ 0 0.572104 0.775233 ] [ 0.5 0.128302 0.923281 ] [ 0 0.871698 0.923281 ] [ 0.5 0.572104 0.224767 ] [ 0.5 0.927896 0.724767 ] [ 0 0.371698 0.576719 ] [ 0.5 0.628302 0.576719 ] [ 0 0.927896 0.275233 ] [ 0.5 0.072104 0.275233 ] [ 0 0.628302 0.423281 ] [ 0.5 0.371698 0.423281 ] [ 0 0.072104 0.724767 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 4.38813543638 "source-unit" "angstrom" } "b" { "source-value" 6.52287096327 "source-unit" "angstrom" } "c" { "source-value" 13.025524664 "source-unit" "angstrom" } }