{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.442891 0.665299 0.8139 ] [ 0.057109 0.165299 0.1861 ] [ 0.557109 0.334701 0.1861 ] [ 0.942891 0.834701 0.8139 ] [ 0.132278 0.86759 0.498642 ] [ 0.367722 0.36759 0.501358 ] [ 0.867722 0.13241 0.501358 ] [ 0.632278 0.63241 0.498642 ] [ 0.868364 0.543903 0.088493 ] [ 0.631636 0.043903 0.911507 ] [ 0.368364 0.956097 0.088493 ] [ 0.131636 0.456097 0.911507 ] [ 0.252851 0.663199 0.245305 ] [ 0.247149 0.163199 0.754695 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.747149 0.336801 0.754695 ] [ 0.752851 0.836801 0.245305 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "W" "W" "W" "W" "W" "W" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.74996536 "source-unit" "angstrom" } "b" { "source-value" 6.90384174 "source-unit" "angstrom" } "c" { "source-value" 6.88421443 "source-unit" "angstrom" } "beta" { "source-value" 109.79264809 "source-unit" "degree" } }