{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Fmm2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.049182 0 ] [ 0.5 0.047021 0.136873 ] [ 0.5 0.047021 0.863127 ] [ 0 0.549182 0.5 ] [ 0.5 0.547021 0.636873 ] [ 0.5 0.547021 0.363127 ] [ 0.5 0.549182 0 ] [ 0 0.547021 0.136873 ] [ 0 0.547021 0.863127 ] [ 0.5 0.049182 0.5 ] [ 0 0.047021 0.636873 ] [ 0 0.047021 0.363127 ] [ 0 0.063125 0.780482 ] [ 0 0.063125 0.219518 ] [ 0 0.563125 0.280482 ] [ 0 0.563125 0.719518 ] [ 0.5 0.563125 0.780482 ] [ 0.5 0.563125 0.219518 ] [ 0.5 0.063125 0.280482 ] [ 0.5 0.063125 0.719518 ] [ 0 0.54981 0 ] [ 0 0.043332 0.863844 ] [ 0.25 0.733689 0.75 ] [ 0.25 0.233689 0.75 ] [ 0 0.043332 0.136156 ] [ 0 0.04981 0.5 ] [ 0 0.543332 0.363844 ] [ 0.25 0.233689 0.25 ] [ 0.25 0.733689 0.25 ] [ 0 0.543332 0.636156 ] [ 0.5 0.04981 0 ] [ 0.5 0.543332 0.863844 ] [ 0.75 0.233689 0.75 ] [ 0.75 0.733689 0.75 ] [ 0.5 0.543332 0.136156 ] [ 0.5 0.54981 0.5 ] [ 0.5 0.043332 0.363844 ] [ 0.75 0.733689 0.25 ] [ 0.75 0.233689 0.25 ] [ 0.5 0.043332 0.636156 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.97737184018 "source-unit" "angstrom" } "b" { "source-value" 6.03235620896 "source-unit" "angstrom" } "c" { "source-value" 22.6456407476 "source-unit" "angstrom" } }