{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.170744 0.154849 0.314251 ] [ 0.863747 0.842466 0.701477 ] [ 0.542314 0.72527 0.027376 ] [ 0.349142 0.307549 0.994832 ] [ 0.878685 0.373035 0.718452 ] [ 0.163891 0.663221 0.291378 ] [ 0.537491 0.886648 0.012135 ] [ 0.069602 0.305113 0.994789 ] [ 0.796109 0.397442 0.561656 ] [ 0.239085 0.836286 0.447898 ] ] } "species" { "source-value" [ "Cd" "Cd" "H" "H" "H" "H" "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" 3.50557971806 "source-unit" "angstrom" } "b" { "source-value" 5.76614762983 "source-unit" "angstrom" } "c" { "source-value" 6.12707990059 "source-unit" "angstrom" } "alpha" { "source-value" 116.594490363 "source-unit" "degree" } "beta" { "source-value" 106.332011112 "source-unit" "degree" } "gamma" { "source-value" 90.6149100567 "source-unit" "degree" } }