{ "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" [ [ 0.29163 0.140863 0.304489 ] [ 0.70837 0.859137 0.695511 ] [ 0.45453 0.297992 0.926275 ] [ 0.54547 0.702008 0.073725 ] [ 0.099917 0.426908 0.773348 ] [ 0.900083 0.573092 0.226652 ] [ 0.166228 0.637474 0.366834 ] [ 0.833772 0.362526 0.633166 ] [ 0.247974 0.230997 0.799747 ] [ 0.752026 0.769003 0.200253 ] [ 0.241605 0.658679 0.890937 ] [ 0.758395 0.341321 0.109063 ] ] } "species" { "source-value" [ "K" "K" "H" "H" "C" "C" "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" 4.41724710349 "source-unit" "angstrom" } "b" { "source-value" 5.63077278823 "source-unit" "angstrom" } "c" { "source-value" 7.02280354863 "source-unit" "angstrom" } "alpha" { "source-value" 109.731171674 "source-unit" "degree" } "beta" { "source-value" 104.785031128 "source-unit" "degree" } "gamma" { "source-value" 94.5012614242 "source-unit" "degree" } }