{ "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" [ [ 0.600184 0.815845 0.9248 ] [ 0.976423 0.150438 0.215876 ] [ 0.747742 0.186718 0.688676 ] [ 0.610616 0.743263 0.504347 ] [ 0.308573 0.125939 0.434588 ] [ 0.34709 0.28019 0.257341 ] [ 0.318162 0.724518 0.283035 ] [ 0.924585 0.794015 0.324817 ] [ 0.027849 0.273648 0.757673 ] [ 0.304808 0.151731 0.289952 ] [ 0.222997 0.089244 0.682525 ] [ 0.717192 0.236187 0.426312 ] [ 0.131152 0.842264 0.154444 ] [ 0.773153 0.409973 0.322888 ] [ 0.341944 0.645245 0.415886 ] [ 0.055356 0.308072 0.965627 ] [ 0.104374 0.688759 0.496168 ] [ 0.719836 0.800689 0.547037 ] [ 0.801965 0.181261 0.818007 ] ] } "species" { "source-value" [ "K" "Mn" "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" 6.25716951 "source-unit" "angstrom" } "b" { "source-value" 6.71967322 "source-unit" "angstrom" } "c" { "source-value" 6.97520373 "source-unit" "angstrom" } "alpha" { "source-value" 84.07219738 "source-unit" "degree" } "beta" { "source-value" 80.62797093 "source-unit" "degree" } "gamma" { "source-value" 71.03440991 "source-unit" "degree" } }