{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.6547 0.85963 ] [ 0.25 0.3453 0.14037 ] [ 0.75 0.1547 0.64037 ] [ 0.25 0.8453 0.35963 ] [ 0.75 0.826658 0.118721 ] [ 0.75 0.326658 0.381279 ] [ 0.25 0.173342 0.881279 ] [ 0.25 0.673342 0.618721 ] [ 0.75 0.763899 0.530063 ] [ 0.25 0.236101 0.469937 ] [ 0.75 0.263899 0.969937 ] [ 0.25 0.736101 0.030063 ] [ 0.25 0.922855 0.762224 ] [ 0.75 0.577145 0.262224 ] [ 0.25 0.422855 0.737776 ] [ 0.75 0.077145 0.237776 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Cd" "Cd" "Cd" "Cd" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.22594241 "source-unit" "angstrom" } "b" { "source-value" 7.46260828 "source-unit" "angstrom" } "c" { "source-value" 14.26382702 "source-unit" "angstrom" } }