{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.835052 0.25 ] [ 0 0.164948 0.75 ] [ 0.5 0.433518 0.25 ] [ 0.5 0.566482 0.75 ] [ 0.067782 0.338628 0.089994 ] [ 0.932218 0.338628 0.410006 ] [ 0.067782 0.661372 0.589994 ] [ 0.932218 0.661372 0.910006 ] [ 0.703218 0.312153 0.010029 ] [ 0.296782 0.312153 0.489971 ] [ 0.703218 0.687847 0.510029 ] [ 0.296782 0.687847 0.989971 ] [ 0.5 0.055717 0.25 ] [ 0.5 0.944283 0.75 ] [ 0.963647 0.212864 0.076337 ] [ 0.679973 0.515256 0.114174 ] [ 0.242645 0.543389 0.115689 ] [ 0.757355 0.543389 0.384311 ] [ 0.320027 0.515256 0.385826 ] [ 0.036353 0.212864 0.423663 ] [ 0.963647 0.787136 0.576337 ] [ 0.679973 0.484744 0.614174 ] [ 0.242645 0.456611 0.615689 ] [ 0.757355 0.456611 0.884311 ] [ 0.320027 0.484744 0.885826 ] [ 0.036353 0.787136 0.923663 ] ] } "species" { "source-value" [ "Rb" "Rb" "Zn" "Zn" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "Cl" "Cl" "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" 6.53671797 "source-unit" "angstrom" } "b" { "source-value" 6.10784505 "source-unit" "angstrom" } "c" { "source-value" 10.94837892 "source-unit" "angstrom" } "beta" { "source-value" 103.17252533 "source-unit" "degree" } }