{ "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" [ [ 0.312926 0.283153 0.517192 ] [ 0.03416 0.874517 0.947855 ] [ 0.600808 0.669991 0.19738 ] [ 0.468587 0.967357 0.23291 ] [ 0.300976 0.778436 0.299189 ] [ 0.452041 0.095285 0.888489 ] [ 0.39776 0.451589 0.957305 ] [ 0.881251 0.687529 0.474154 ] [ 0.902403 0.367042 0.224719 ] [ 0.05128 0.669966 0.665572 ] [ 0.251407 0.322863 0.892542 ] [ 0.299874 0.891674 0.219278 ] [ 0.316692 0.143915 0.980396 ] [ 0.622651 0.613426 0.483929 ] [ 0.589835 0.04598 0.739905 ] [ 0.829077 0.622346 0.017394 ] [ 0.809511 0.046357 0.829271 ] [ 0.599624 0.672531 0.048008 ] [ 0.794137 0.18104 0.321511 ] ] } "species" { "source-value" [ "K" "Mg" "H" "H" "H" "H" "H" "S" "S" "O" "O" "O" "O" "O" "O" "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" 5.82207171 "source-unit" "angstrom" } "b" { "source-value" 6.24873227 "source-unit" "angstrom" } "c" { "source-value" 6.65014163 "source-unit" "angstrom" } "alpha" { "source-value" 103.58609752 "source-unit" "degree" } "beta" { "source-value" 98.49839509 "source-unit" "degree" } "gamma" { "source-value" 100.64290538 "source-unit" "degree" } }