{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.837076 0.25 ] [ 0 0.162924 0.75 ] [ 0.5 0.337076 0.25 ] [ 0.5 0.662924 0.75 ] [ 0 0.819018 0.75 ] [ 0 0.180982 0.25 ] [ 0.5 0.319018 0.75 ] [ 0.5 0.680982 0.25 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.108925 0.286107 0.128026 ] [ 0.891075 0.286107 0.371974 ] [ 0.891075 0.713893 0.871974 ] [ 0.108925 0.713893 0.628026 ] [ 0.825531 0.934418 0.589098 ] [ 0.174469 0.934418 0.910902 ] [ 0 0.588613 0.25 ] [ 0 0.411387 0.75 ] [ 0.825531 0.065582 0.089098 ] [ 0.174469 0.065582 0.410902 ] [ 0.608925 0.786107 0.128026 ] [ 0.391075 0.786107 0.371974 ] [ 0.391075 0.213893 0.871974 ] [ 0.608925 0.213893 0.628026 ] [ 0.325531 0.434418 0.589098 ] [ 0.674469 0.434418 0.910902 ] [ 0.5 0.088613 0.25 ] [ 0.5 0.911387 0.75 ] [ 0.325531 0.565582 0.089098 ] [ 0.674469 0.565582 0.410902 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "Sn" "Sn" "Sn" "Sn" "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" 6.79531307 "source-unit" "angstrom" } "b" { "source-value" 8.9960881 "source-unit" "angstrom" } "c" { "source-value" 7.26657657 "source-unit" "angstrom" } "beta" { "source-value" 113.62434669 "source-unit" "degree" } }