{ "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" [ [ 0.796424 0.991024 0.480637 ] [ 0.125085 0.663168 0.476743 ] [ 0.333817 0.676923 0.092646 ] [ 0.676285 0.333215 0.094454 ] [ 0.211273 0.128253 0.332283 ] [ 0.244814 0.346618 0.73192 ] [ 0.542869 0.009249 0.733898 ] [ 0.871835 0.637873 0.73372 ] [ 0.405259 0.708147 0.317409 ] [ 0.78429 0.325547 0.31859 ] [ 0.499495 0.99993 0.996724 ] [ 0.436989 0.461126 0.022211 ] [ 0.965636 0.532461 0.998201 ] [ 0.021602 0.940851 0.326276 ] [ 0.129724 0.33519 0.604861 ] [ 0.509753 0.949455 0.60638 ] [ 0.893551 0.712971 0.610147 ] ] } "species" { "source-value" [ "Al" "Al" "Si" "Si" "H" "H" "H" "H" "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" 5.2010921 "source-unit" "angstrom" } "b" { "source-value" 5.20383594 "source-unit" "angstrom" } "c" { "source-value" 7.41852818 "source-unit" "angstrom" } "alpha" { "source-value" 84.12651754 "source-unit" "degree" } "beta" { "source-value" 104.87008081 "source-unit" "degree" } "gamma" { "source-value" 119.75947194 "source-unit" "degree" } }