{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.25 0.75 0.75 ] [ 0.25 0.25 0.75 ] [ 0.75 0.25 0.25 ] [ 0.75 0.75 0.25 ] [ 0.999741 0.5 0.724293 ] [ 0.75 0.311344 0.498162 ] [ 0.25 0.311344 0.501838 ] [ 0.999741 0 0.775707 ] [ 0.500259 0.5 0.724293 ] [ 0.25 0.188656 0.998162 ] [ 0.75 0.188656 0.001838 ] [ 0.500259 0 0.775707 ] [ 0.499741 0 0.224293 ] [ 0.25 0.811344 0.998162 ] [ 0.75 0.811344 0.001838 ] [ 0.499741 0.5 0.275707 ] [ 0.000259 0 0.224293 ] [ 0.75 0.688656 0.498162 ] [ 0.25 0.688656 0.501838 ] [ 0.000259 0.5 0.275707 ] ] } "species" { "source-value" [ "Co" "Co" "Co" "Co" "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" 5.69577006 "source-unit" "angstrom" } "b" { "source-value" 6.80990269 "source-unit" "angstrom" } "c" { "source-value" 8.56828394 "source-unit" "angstrom" } }