{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmb" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.25 0.735832 ] [ 0.5 0.75 0.264168 ] [ 0 0.25 0.248673 ] [ 0 0.75 0.751327 ] [ 0 0.532423 0.153754 ] [ 0 0.25 0.568373 ] [ 0.5 0.75 0.900481 ] [ 0.5 0.25 0.099519 ] [ 0 0.75 0.431627 ] [ 0.5 0.918295 0.649813 ] [ 0 0.967577 0.153754 ] [ 0 0.467577 0.846246 ] [ 0.5 0.081705 0.350187 ] [ 0.5 0.418295 0.350187 ] [ 0 0.032423 0.846246 ] [ 0.5 0.581705 0.649813 ] ] } "species" { "source-value" [ "Ba" "Ba" "Th" "Th" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.38756383 "source-unit" "angstrom" } "b" { "source-value" 9.66950386 "source-unit" "angstrom" } "c" { "source-value" 13.42085963 "source-unit" "angstrom" } }