{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.994754 0.25 ] [ 0.5 0.005246 0.75 ] [ 0 0.494754 0.75 ] [ 0 0.505246 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.75 0.25 0.9607 ] [ 0.75 0.75 0.0393 ] [ 0.25 0.75 0.0393 ] [ 0.25 0.25 0.9607 ] [ 0 0.068768 0.25 ] [ 0 0.931232 0.75 ] [ 0.25 0.75 0.4607 ] [ 0.25 0.25 0.5393 ] [ 0.75 0.25 0.5393 ] [ 0.75 0.75 0.4607 ] [ 0.5 0.568768 0.75 ] [ 0.5 0.431232 0.25 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Pb" "Pb" "Pb" "Pb" "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" 6.12989234992 "source-unit" "angstrom" } "b" { "source-value" 6.21692200159 "source-unit" "angstrom" } "c" { "source-value" 8.68005596075 "source-unit" "angstrom" } }