{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.980827 0.928089 0.25 ] [ 0.519173 0.428089 0.25 ] [ 0.480827 0.571911 0.75 ] [ 0.019173 0.071911 0.75 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.878703 0.453744 0.75 ] [ 0.813217 0.195333 0.440629 ] [ 0.813217 0.195333 0.059371 ] [ 0.686783 0.695333 0.440629 ] [ 0.686783 0.695333 0.059371 ] [ 0.621297 0.953744 0.75 ] [ 0.378703 0.046256 0.25 ] [ 0.313217 0.304667 0.940629 ] [ 0.313217 0.304667 0.559371 ] [ 0.186783 0.804667 0.940629 ] [ 0.186783 0.804667 0.559371 ] [ 0.121297 0.546256 0.25 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "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" 5.32805548 "source-unit" "angstrom" } "b" { "source-value" 5.6924506 "source-unit" "angstrom" } "c" { "source-value" 7.67449453 "source-unit" "angstrom" } }