{ "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" [ [ 0.247429 0.652772 0.313176 ] [ 0.752571 0.347228 0.686824 ] [ 0.812039 0.181197 0.205711 ] [ 0.187961 0.818803 0.794289 ] [ 0.72093 0.700734 0.046504 ] [ 0.27907 0.299266 0.953496 ] [ 0.257279 0.173161 0.430187 ] [ 0.742721 0.826839 0.569813 ] [ 0.271702 0.077308 0.587368 ] [ 0.223321 0.038057 0.307446 ] [ 0.776679 0.961943 0.692554 ] [ 0.728298 0.922692 0.412632 ] [ 0.531914 0.228078 0.987915 ] [ 0.84009 0.627789 0.905184 ] [ 0.15991 0.372211 0.094816 ] [ 0.96153 0.693956 0.57721 ] [ 0.711675 0.550744 0.175481 ] [ 0.03847 0.306044 0.42279 ] [ 0.481791 0.28385 0.394358 ] [ 0.870466 0.86263 0.089972 ] [ 0.129534 0.13737 0.910028 ] [ 0.288325 0.449256 0.824519 ] [ 0.468086 0.771922 0.012085 ] [ 0.518209 0.71615 0.605642 ] ] } "species" { "source-value" [ "K" "K" "Pr" "Pr" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "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" 5.50169992465 "source-unit" "angstrom" } "b" { "source-value" 7.06333782636 "source-unit" "angstrom" } "c" { "source-value" 8.63155183032 "source-unit" "angstrom" } "alpha" { "source-value" 85.8250209235 "source-unit" "degree" } "beta" { "source-value" 88.6285754566 "source-unit" "degree" } "gamma" { "source-value" 88.3920603021 "source-unit" "degree" } }