{ "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 0 0.5 ] [ 0 0.774973 0.744577 ] [ 0 0.969621 0.911766 ] [ 0 0.274973 0.755423 ] [ 0 0.469621 0.588234 ] [ 0 0.030379 0.088234 ] [ 0 0.725027 0.244577 ] [ 0 0.5 0 ] [ 0 0.225027 0.255423 ] [ 0 0.530379 0.411766 ] [ 0.5 0.174533 0.379567 ] [ 0.5 0.825467 0.620433 ] [ 0.5 0.325467 0.879567 ] [ 0.5 0.674533 0.120433 ] [ 0 0.545514 0.864166 ] [ 0.5 0.695773 0.501652 ] [ 0 0.454486 0.135834 ] [ 0.5 0.195773 0.998348 ] [ 0.5 0.304227 0.498348 ] [ 0.5 0.985737 0.188385 ] [ 0.5 0.014263 0.811615 ] [ 0.5 0.804227 0.001652 ] [ 0 0.045514 0.635834 ] [ 0 0.954486 0.364166 ] [ 0.5 0.485737 0.311615 ] [ 0.5 0.514263 0.688385 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "In" "In" "In" "In" "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" 4.81405085209 "source-unit" "angstrom" } "b" { "source-value" 7.94895490321 "source-unit" "angstrom" } "c" { "source-value" 24.8810392835 "source-unit" "angstrom" } }