{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.149067 0.25 ] [ 0 0.850933 0.75 ] [ 0.5 0.649067 0.25 ] [ 0.5 0.350933 0.75 ] [ 0.5 0.908655 0.25 ] [ 0.5 0.091345 0.75 ] [ 0 0.408655 0.25 ] [ 0 0.591345 0.75 ] [ 0.5 0 0.5 ] [ 0.5 0.17795 0.967977 ] [ 0 0.0805 0.75 ] [ 0 0.9195 0.25 ] [ 0.5 0.17795 0.532023 ] [ 0.5 0.82205 0.032023 ] [ 0.5 0.82205 0.467977 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.67795 0.967977 ] [ 0.5 0.5805 0.75 ] [ 0.5 0.4195 0.25 ] [ 0 0.67795 0.532023 ] [ 0 0.32205 0.032023 ] [ 0 0.32205 0.467977 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "W" "W" "W" "W" "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" 4.01726304676 "source-unit" "angstrom" } "b" { "source-value" 14.9700309907 "source-unit" "angstrom" } "c" { "source-value" 6.03599977 "source-unit" "angstrom" } }