{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.400529 0.993308 0.541607 ] [ 0.400529 0.006692 0.041607 ] [ 0.868674 0.443315 0.315506 ] [ 0.868674 0.556685 0.815506 ] [ 0.87133 0.55744 0.526771 ] [ 0.87133 0.44256 0.026771 ] [ 0.00855 0.119708 0.200217 ] [ 0.00855 0.880292 0.700217 ] [ 0.198627 0.05974 0.742825 ] [ 0.198627 0.94026 0.242825 ] [ 0.854221 0.878172 0.536323 ] [ 0.854221 0.121828 0.036323 ] [ 0.620515 0.619225 0.895314 ] [ 0.620515 0.380775 0.395314 ] [ 0.618967 0.378858 0.850955 ] [ 0.618967 0.621142 0.350955 ] [ 0.121209 0.621102 0.997975 ] [ 0.121209 0.378898 0.497975 ] [ 0.125143 0.385027 0.942753 ] [ 0.125143 0.614973 0.442753 ] [ 0.808655 0.653796 0.158869 ] [ 0.808655 0.346204 0.658869 ] [ 0.626167 0.456938 0.123636 ] [ 0.626167 0.543062 0.623636 ] [ 0.835816 0.125841 0.292564 ] [ 0.835816 0.874159 0.792564 ] [ 0.115737 0.362534 0.219884 ] [ 0.115737 0.637466 0.719884 ] ] } "species" { "source-value" [ "Rb" "Rb" "Nb" "Nb" "Nb" "Nb" "P" "P" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.56875172 "source-unit" "angstrom" } "b" { "source-value" 8.08099958 "source-unit" "angstrom" } "c" { "source-value" 13.12400189 "source-unit" "angstrom" } "beta" { "source-value" 109.80205415 "source-unit" "degree" } }