{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.021104 0.930211 0.75 ] [ 0.478896 0.430211 0.75 ] [ 0.521104 0.569789 0.25 ] [ 0.978896 0.069789 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.117694 0.456967 0.25 ] [ 0.19213 0.199059 0.557624 ] [ 0.19213 0.199059 0.942376 ] [ 0.30787 0.699059 0.942376 ] [ 0.30787 0.699059 0.557624 ] [ 0.382306 0.956967 0.25 ] [ 0.617694 0.043033 0.75 ] [ 0.69213 0.300941 0.057624 ] [ 0.69213 0.300941 0.442376 ] [ 0.80787 0.800941 0.057624 ] [ 0.80787 0.800941 0.442376 ] [ 0.882306 0.543033 0.75 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Ti" "Ti" "Ti" "Ti" "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" 5.36562141 "source-unit" "angstrom" } "b" { "source-value" 5.71340039 "source-unit" "angstrom" } "c" { "source-value" 7.72340103 "source-unit" "angstrom" } }