{ "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" [ [ 0.013098 0.948907 0.75 ] [ 0.486902 0.448907 0.75 ] [ 0.513098 0.551093 0.25 ] [ 0.986902 0.051093 0.25 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.102192 0.46266 0.25 ] [ 0.198515 0.201074 0.553973 ] [ 0.198515 0.201074 0.946027 ] [ 0.301485 0.701074 0.553973 ] [ 0.301485 0.701074 0.946027 ] [ 0.397808 0.96266 0.25 ] [ 0.602192 0.03734 0.75 ] [ 0.698515 0.298926 0.053973 ] [ 0.698515 0.298926 0.446027 ] [ 0.801485 0.798926 0.053973 ] [ 0.801485 0.798926 0.446027 ] [ 0.897808 0.53734 0.75 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Hf" "Hf" "Hf" "Hf" "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" 5.58080359 "source-unit" "angstrom" } "b" { "source-value" 5.76822869 "source-unit" "angstrom" } "c" { "source-value" 8.01690839 "source-unit" "angstrom" } }