{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.863124 0 0.590205 ] [ 0.136876 0 0.409795 ] [ 0.768906 0 0.70073 ] [ 0.231094 0 0.29927 ] [ 0.934964 0.5 0.908182 ] [ 0.065036 0.5 0.091818 ] [ 0.363124 0.5 0.590205 ] [ 0.636876 0.5 0.409795 ] [ 0.268906 0.5 0.70073 ] [ 0.731094 0.5 0.29927 ] [ 0.434964 0 0.908182 ] [ 0.565036 0 0.091818 ] [ 0.857605 0 0.945525 ] [ 0.142395 0 0.054475 ] [ 0.823986 0 0.33804 ] [ 0.176014 0 0.66196 ] [ 0.954791 0.5 0.685865 ] [ 0.045209 0.5 0.314135 ] [ 0.357605 0.5 0.945525 ] [ 0.642395 0.5 0.054475 ] [ 0.323986 0.5 0.33804 ] [ 0.676014 0.5 0.66196 ] [ 0.454791 0 0.685865 ] [ 0.545209 0 0.314135 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 17.7328997474 "source-unit" "angstrom" } "b" { "source-value" 3.69631912 "source-unit" "angstrom" } "c" { "source-value" 10.227901357 "source-unit" "angstrom" } "beta" { "source-value" 112.341626028 "source-unit" "degree" } }