{ "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" [ [ 0.863962 0 0.621686 ] [ 0.114306 0.750637 0.123423 ] [ 0.114306 0.249363 0.123423 ] [ 0.864843 0 0.123552 ] [ 0.363962 0.5 0.621686 ] [ 0.614306 0.250637 0.123423 ] [ 0.614306 0.749363 0.123423 ] [ 0.364843 0.5 0.123552 ] [ 0.115675 0.249347 0.625639 ] [ 0.865815 0.5 0.126629 ] [ 0.86516 0.5 0.625203 ] [ 0.115675 0.750653 0.625639 ] [ 0.615675 0.749347 0.625639 ] [ 0.365815 0 0.126629 ] [ 0.36516 0 0.625203 ] [ 0.615675 0.250653 0.625639 ] [ 0.222252 0.274194 0.985457 ] [ 0.753072 0.5 0.247115 ] [ 0.974604 0.232039 0.734998 ] [ 0.006679 0.5 0.53679 ] [ 0.008795 0 0.042633 ] [ 0.758368 0 0.752957 ] [ 0.973924 0.737212 0.22802 ] [ 0.005292 0 0.492422 ] [ 0.222391 0.23029 0.477985 ] [ 0.754856 0.5 0.779048 ] [ 0.973924 0.262788 0.22802 ] [ 0.009829 0.5 0.997174 ] [ 0.756361 0 0.280941 ] [ 0.974604 0.767961 0.734998 ] [ 0.222252 0.725806 0.985457 ] [ 0.222391 0.76971 0.477985 ] [ 0.722252 0.774194 0.985457 ] [ 0.253072 0 0.247115 ] [ 0.474604 0.732039 0.734998 ] [ 0.506679 0 0.53679 ] [ 0.508795 0.5 0.042633 ] [ 0.258368 0.5 0.752957 ] [ 0.473924 0.237212 0.22802 ] [ 0.505292 0.5 0.492422 ] [ 0.722391 0.73029 0.477985 ] [ 0.254856 0 0.779048 ] [ 0.473924 0.762788 0.22802 ] [ 0.509829 0 0.997174 ] [ 0.256361 0.5 0.280941 ] [ 0.474604 0.267961 0.734998 ] [ 0.722252 0.225806 0.985457 ] [ 0.722391 0.26971 0.477985 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Hf" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 12.61841826 "source-unit" "angstrom" } "b" { "source-value" 7.24619068 "source-unit" "angstrom" } "c" { "source-value" 7.2545639 "source-unit" "angstrom" } "beta" { "source-value" 125.0777903 "source-unit" "degree" } }