{ "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" [ [ 0.727795 0.320596 0.09933 ] [ 0.272205 0.679404 0.90067 ] [ 0.8648 0.041925 0.665935 ] [ 0.1352 0.958075 0.334065 ] [ 0.432079 0.548201 0.322341 ] [ 0.567921 0.451799 0.677659 ] [ 0.75219 0.696543 0.901229 ] [ 0.24781 0.303457 0.098771 ] [ 0.514005 0.873497 0.270445 ] [ 0.485995 0.126503 0.729555 ] [ 0.238524 0.470686 0.494131 ] [ 0.761476 0.529314 0.505869 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Si" "Si" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.08311698918 "source-unit" "angstrom" } "b" { "source-value" 7.17421816675 "source-unit" "angstrom" } "c" { "source-value" 8.9191184588 "source-unit" "angstrom" } "alpha" { "source-value" 89.4558501872 "source-unit" "degree" } "beta" { "source-value" 112.049914036 "source-unit" "degree" } "gamma" { "source-value" 112.911727982 "source-unit" "degree" } }