{ "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 0.5 0.5 ] [ 0 0 0 ] [ 0.201819 0.931972 0.804519 ] [ 0.201819 0.568028 0.304519 ] [ 0.798181 0.068028 0.195481 ] [ 0.798181 0.431972 0.695481 ] [ 0.75582 0.652434 0.643888 ] [ 0.75582 0.847566 0.143888 ] [ 0.24418 0.347566 0.356112 ] [ 0.24418 0.152434 0.856112 ] [ 0.354039 0.620179 0.080698 ] [ 0.354039 0.879821 0.580698 ] [ 0.645961 0.379821 0.919302 ] [ 0.645961 0.120179 0.419302 ] [ 0.216957 0.733465 0.152102 ] [ 0.216957 0.766535 0.652102 ] [ 0.783043 0.266535 0.847898 ] [ 0.783043 0.233465 0.347898 ] [ 0.680228 0.661591 0.224328 ] [ 0.680228 0.838409 0.724328 ] [ 0.319772 0.338409 0.775672 ] [ 0.319772 0.161591 0.275672 ] [ 0.809184 0.531213 0.619874 ] [ 0.809184 0.968787 0.119874 ] [ 0.190816 0.468787 0.380126 ] [ 0.190816 0.031213 0.880126 ] ] } "species" { "source-value" [ "Zn" "Zn" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.43896939 "source-unit" "angstrom" } "b" { "source-value" 7.08844059 "source-unit" "angstrom" } "c" { "source-value" 8.6665977 "source-unit" "angstrom" } "beta" { "source-value" 132.08016361 "source-unit" "degree" } }