{ "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" [ [ 0.702902 0.195533 0.845186 ] [ 0.297098 0.804467 0.154814 ] [ 0.389557 0.764269 0.778022 ] [ 0.610443 0.235731 0.221978 ] [ 0.93571 0.722992 0.091349 ] [ 0.084017 0.797969 0.641246 ] [ 0.06429 0.277008 0.908651 ] [ 0.458195 0.678571 0.346914 ] [ 0.915983 0.202031 0.358754 ] [ 0.541805 0.321429 0.653086 ] [ 0.577474 0.944399 0.775709 ] [ 0.619621 0.231034 0.03656 ] [ 0.380379 0.768966 0.96344 ] [ 0.422526 0.055601 0.224291 ] ] } "species" { "source-value" [ "Al" "Al" "S" "S" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 6.48670742771 "source-unit" "angstrom" } "b" { "source-value" 7.78823033844 "source-unit" "angstrom" } "c" { "source-value" 8.08295159527 "source-unit" "angstrom" } "alpha" { "source-value" 93.4080866483 "source-unit" "degree" } "beta" { "source-value" 106.132077859 "source-unit" "degree" } "gamma" { "source-value" 109.942129478 "source-unit" "degree" } }