{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.464575 0.75 0.783557 ] [ 0.964575 0.25 0.716443 ] [ 0.535425 0.25 0.216443 ] [ 0.035425 0.75 0.283557 ] [ 0.286754 0.75 0.524864 ] [ 0.786754 0.25 0.975136 ] [ 0.713246 0.25 0.475136 ] [ 0.213246 0.75 0.024864 ] [ 0.28469 0.25 0.911999 ] [ 0.71531 0.75 0.088001 ] [ 0.21531 0.25 0.411999 ] [ 0.78469 0.75 0.588001 ] [ 0.909192 0.499842 0.106682 ] [ 0.409192 0.500158 0.393318 ] [ 0.090808 0.999842 0.893318 ] [ 0.590808 0.000158 0.606682 ] [ 0.409192 0.999842 0.393318 ] [ 0.090808 0.500158 0.893318 ] [ 0.909192 0.000158 0.106682 ] [ 0.590808 0.499842 0.606682 ] [ 0.038035 0.75 0.660983 ] [ 0.538035 0.25 0.839017 ] [ 0.961965 0.25 0.339018 ] [ 0.461965 0.75 0.160982 ] [ 0.629596 0.75 0.97055 ] [ 0.129596 0.25 0.52945 ] [ 0.370404 0.25 0.02945 ] [ 0.870404 0.75 0.47055 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "La" "La" "La" "La" "Si" "Si" "Si" "Si" "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" 6.63314129 "source-unit" "angstrom" } "b" { "source-value" 6.69579846 "source-unit" "angstrom" } "c" { "source-value" 17.56937631 "source-unit" "angstrom" } }