{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.130459 0.622205 0.130953 ] [ 0.369541 0.377795 0.630953 ] [ 0.630459 0.877795 0.869047 ] [ 0.869541 0.122205 0.369047 ] [ 0.079764 0.896909 0.255005 ] [ 0.956763 0.660243 0.965232 ] [ 0.543237 0.339757 0.465232 ] [ 0.420236 0.103091 0.755005 ] [ 0.579764 0.603091 0.744995 ] [ 0.456763 0.839757 0.034768 ] [ 0.043237 0.160243 0.534768 ] [ 0.920236 0.396909 0.244995 ] [ 0.120538 0.625409 0.615021 ] [ 0.379462 0.374591 0.115021 ] [ 0.620538 0.874591 0.384979 ] [ 0.879462 0.125409 0.884979 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.06342828 "source-unit" "angstrom" } "b" { "source-value" 5.11344302 "source-unit" "angstrom" } "c" { "source-value" 8.42538245 "source-unit" "angstrom" } }