{ "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" [ [ 0.516 0.181079 0.422434 ] [ 0.484 0.681079 0.077566 ] [ 0.516 0.318921 0.922434 ] [ 0.484 0.818921 0.577566 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.009635 0.305872 0.630381 ] [ 0.990365 0.805872 0.869619 ] [ 0.990365 0.694128 0.369619 ] [ 0.009635 0.194128 0.130381 ] [ 0.566696 0.047307 0.758597 ] [ 0.433304 0.547307 0.741403 ] [ 0.566696 0.452693 0.258597 ] [ 0.433304 0.952693 0.241403 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Cr" "Cr" "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" 3.39901661098 "source-unit" "angstrom" } "b" { "source-value" 9.70230545 "source-unit" "angstrom" } "c" { "source-value" 5.74554870901 "source-unit" "angstrom" } "beta" { "source-value" 92.0412470876 "source-unit" "degree" } }