{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.108633 0 0.928897 ] [ 0.194153 0.5 0.30972 ] [ 0.788799 0.5 0.692652 ] [ 0.883575 0 0.081946 ] [ 0.991835 0 0.504623 ] [ 0.608633 0.5 0.928897 ] [ 0.694153 0 0.30972 ] [ 0.288799 0 0.692652 ] [ 0.383575 0.5 0.081946 ] [ 0.491835 0.5 0.504623 ] [ 0.000661 0.5 0.011753 ] [ 0.148066 0.5 0.55788 ] [ 0.232529 0.5 0.856985 ] [ 0.759524 0.5 0.152005 ] [ 0.834965 0.5 0.448986 ] [ 0.500661 0 0.011753 ] [ 0.648066 0 0.55788 ] [ 0.732529 0 0.856985 ] [ 0.259524 0 0.152005 ] [ 0.334965 0 0.448986 ] [ 0.038975 0 0.292821 ] [ 0.947752 0 0.718185 ] [ 0.538975 0.5 0.292821 ] [ 0.447752 0.5 0.718185 ] ] } "species" { "source-value" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 10.60348402 "source-unit" "angstrom" } "b" { "source-value" 3.11537184 "source-unit" "angstrom" } "c" { "source-value" 9.25826252 "source-unit" "angstrom" } "beta" { "source-value" 105.60606179 "source-unit" "degree" } }