{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.161792 0.185259 0.674038 ] [ 0.838208 0.814741 0.325962 ] [ 0.733939 0.185711 0.476894 ] [ 0.266061 0.814289 0.523106 ] [ 0.731622 0.144186 0.862111 ] [ 0.268378 0.855814 0.137889 ] [ 0.7956 0.689015 0.806588 ] [ 0.2044 0.310985 0.193412 ] [ 0.900852 0.136243 0.452656 ] [ 0.099148 0.863757 0.547344 ] [ 0.904346 0.103103 0.862976 ] [ 0.095654 0.896897 0.137024 ] [ 0.428755 0.206035 0.863097 ] [ 0.571245 0.793965 0.136903 ] [ 0.444688 0.260166 0.511347 ] [ 0.555312 0.739834 0.488653 ] [ 0.188026 0.48558 0.77151 ] [ 0.811974 0.51442 0.22849 ] ] } "species" { "source-value" [ "Al" "Al" "H" "H" "H" "H" "Pb" "Pb" "O" "O" "O" "O" "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" 5.0816227687 "source-unit" "angstrom" } "b" { "source-value" 6.39658857705 "source-unit" "angstrom" } "c" { "source-value" 6.92344101885 "source-unit" "angstrom" } "alpha" { "source-value" 105.478083217 "source-unit" "degree" } "beta" { "source-value" 89.6113332395 "source-unit" "degree" } "gamma" { "source-value" 107.618061906 "source-unit" "degree" } }