{ "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" [ [ 0.600569 0.649979 0.644991 ] [ 0.399431 0.149979 0.855009 ] [ 0.399431 0.350021 0.355009 ] [ 0.600569 0.850021 0.144991 ] [ 0.146143 0.602082 0.922045 ] [ 0.030016 0.553888 0.242831 ] [ 0.969984 0.053888 0.257169 ] [ 0.853857 0.102082 0.577955 ] [ 0.030016 0.946112 0.742831 ] [ 0.969984 0.446112 0.757169 ] [ 0.853857 0.397918 0.077955 ] [ 0.146143 0.897918 0.422045 ] [ 0.888147 0.098124 0.394805 ] [ 0.926054 0.471033 0.198001 ] [ 0.888147 0.401876 0.894805 ] [ 0.111853 0.598124 0.105195 ] [ 0.073946 0.528967 0.801999 ] [ 0.111853 0.901876 0.605195 ] [ 0.926054 0.028967 0.698001 ] [ 0.073946 0.971033 0.301999 ] [ 0.393322 0.07885 0.6283 ] [ 0.606678 0.57885 0.8717 ] [ 0.828785 0.738168 0.72128 ] [ 0.310743 0.802126 0.05535 ] [ 0.674544 0.573039 0.456499 ] [ 0.689257 0.197874 0.94465 ] [ 0.606678 0.92115 0.3717 ] [ 0.325456 0.426961 0.543501 ] [ 0.171215 0.261832 0.27872 ] [ 0.393322 0.42115 0.1283 ] [ 0.325456 0.073039 0.043501 ] [ 0.828785 0.761832 0.22128 ] [ 0.674544 0.926961 0.956499 ] [ 0.689257 0.302126 0.44465 ] [ 0.310743 0.697874 0.55535 ] [ 0.171215 0.238168 0.77872 ] ] } "species" { "source-value" [ "Al" "Al" "Al" "Al" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.03229781641 "source-unit" "angstrom" } "b" { "source-value" 16.68894189 "source-unit" "angstrom" } "c" { "source-value" 8.14926985132 "source-unit" "angstrom" } "beta" { "source-value" 104.261558859 "source-unit" "degree" } }