{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.229117 0.301453 0.686729 ] [ 0.229117 0.698547 0.186729 ] [ 0.799189 0.800061 0.819201 ] [ 0.799189 0.199939 0.319201 ] [ 0.511865 0.751022 0.506354 ] [ 0.511865 0.248978 0.006354 ] [ 0.012716 0.752636 0.501462 ] [ 0.012716 0.247364 0.001462 ] [ 0.348373 0.500406 0.436602 ] [ 0.348373 0.499594 0.936602 ] [ 0.674601 0.002346 0.576125 ] [ 0.674601 0.997654 0.076125 ] [ 0.507171 0.898573 0.337518 ] [ 0.507171 0.101427 0.837518 ] [ 0.517224 0.602917 0.675215 ] [ 0.517224 0.397083 0.175215 ] [ 0.892262 0.539128 0.048837 ] [ 0.892262 0.460872 0.548837 ] [ 0.132603 0.954869 0.954398 ] [ 0.132603 0.045131 0.454398 ] [ 0.103869 0.197158 0.180806 ] [ 0.103869 0.802842 0.680806 ] [ 0.92171 0.297694 0.822053 ] [ 0.92171 0.702306 0.322053 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Au" "Au" "Au" "Au" "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" 9.10042254492 "source-unit" "angstrom" } "b" { "source-value" 6.58688167 "source-unit" "angstrom" } "c" { "source-value" 12.5133097576 "source-unit" "angstrom" } "beta" { "source-value" 96.5653760587 "source-unit" "degree" } }