{ "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" [ [ 0.988407 0.292575 0.071981 ] [ 0.36998 0.688676 0.266696 ] [ 0.41256 0.106101 0.134374 ] [ 0.75715 0.099199 0.465529 ] [ 0.813188 0.496544 0.330558 ] [ 0.161201 0.501767 0.667442 ] [ 0.230495 0.894572 0.536794 ] [ 0.583148 0.901439 0.874831 ] [ 0.637512 0.29649 0.741015 ] [ 0.031214 0.70804 0.939994 ] [ 0.462869 0.460317 0.09682 ] [ 0.938576 0.93948 0.10603 ] [ 0.342238 0.344836 0.306151 ] [ 0.198211 0.199429 0.601796 ] [ 0.591037 0.589933 0.815378 ] [ 0.789665 0.791646 0.422608 ] [ 0.055215 0.051373 0.89701 ] [ 0.997902 0.563459 0.143894 ] [ 0.40236 0.834234 0.063124 ] [ 0.385033 0.964028 0.34349 ] [ 0.789715 0.222839 0.258067 ] [ 0.785433 0.375074 0.545885 ] [ 0.194401 0.619433 0.457628 ] [ 0.201695 0.777465 0.747971 ] [ 0.606646 0.02111 0.660128 ] [ 0.610413 0.174576 0.949557 ] [ 0.010455 0.432085 0.861808 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.62223977 "source-unit" "angstrom" } "b" { "source-value" 9.65513237 "source-unit" "angstrom" } "c" { "source-value" 11.36074367 "source-unit" "angstrom" } "alpha" { "source-value" 91.02384681 "source-unit" "degree" } "beta" { "source-value" 102.50674232 "source-unit" "degree" } "gamma" { "source-value" 111.41117284 "source-unit" "degree" } }