{ "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 0 0 ] [ 0 0 0.5 ] [ 0.619428 0.408822 0.23889 ] [ 0.380572 0.591178 0.76111 ] [ 0.296902 0.078621 0.92008 ] [ 0.703098 0.921379 0.07992 ] [ 0.108881 0.270313 0.099528 ] [ 0.891119 0.729687 0.900472 ] [ 0.127594 0.822884 0.10965 ] [ 0.872406 0.177116 0.89035 ] [ 0.225288 0.292339 0.476645 ] [ 0.774712 0.707661 0.523355 ] [ 0.234585 0.842451 0.456508 ] [ 0.765415 0.157549 0.543492 ] [ 0.098022 0.007149 0.661496 ] [ 0.901978 0.992851 0.338504 ] [ 0.659415 0.413907 0.102238 ] [ 0.340585 0.586093 0.897762 ] [ 0.865999 0.476274 0.305158 ] [ 0.134001 0.523726 0.694842 ] [ 0.474663 0.162118 0.27643 ] [ 0.525337 0.837882 0.72357 ] [ 0.476958 0.587278 0.274576 ] [ 0.523042 0.412722 0.725424 ] ] } "species" { "source-value" [ "Nb" "Nb" "P" "P" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.27349365886 "source-unit" "angstrom" } "b" { "source-value" 7.48621649046 "source-unit" "angstrom" } "c" { "source-value" 14.1045963222 "source-unit" "angstrom" } "alpha" { "source-value" 90.8528277372 "source-unit" "degree" } "beta" { "source-value" 90.5887348177 "source-unit" "degree" } "gamma" { "source-value" 105.507914614 "source-unit" "degree" } }