{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.14769 0.83945 ] [ 0.5 0.85231 0.16055 ] [ 0.5 0.64769 0.66055 ] [ 0.5 0.35231 0.33945 ] [ 0.261126 0 0.5 ] [ 0.738874 0.5 0 ] [ 0.738874 0 0.5 ] [ 0.261126 0.5 0 ] [ 0 0.329502 0.66959 ] [ 0 0.670498 0.33041 ] [ 0 0.829502 0.83041 ] [ 0 0.170498 0.16959 ] [ 0 0.355722 0.935477 ] [ 0 0.644278 0.064523 ] [ 0 0.855722 0.564523 ] [ 0 0.144278 0.435477 ] [ 0.5 0.361137 0.915478 ] [ 0.5 0.638863 0.084522 ] [ 0.5 0.861137 0.584522 ] [ 0.5 0.138863 0.415478 ] [ 0.251673 0.876882 0.291694 ] [ 0.251673 0.123118 0.708306 ] [ 0.748327 0.376882 0.208306 ] [ 0.748327 0.623118 0.791694 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0.251673 0.376882 0.208306 ] [ 0.251673 0.623118 0.791694 ] [ 0.748327 0.876882 0.291694 ] [ 0.748327 0.123118 0.708306 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Bi" "Bi" "Bi" "Bi" "O" "O" "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" 5.76765148 "source-unit" "angstrom" } "b" { "source-value" 7.78230982 "source-unit" "angstrom" } "c" { "source-value" 8.24779449 "source-unit" "angstrom" } }