{ "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" [ [ 0.242583 0.258151 0.083689 ] [ 0.750306 0.999463 0.255491 ] [ 0.248052 0.502366 0.744213 ] [ 0.246605 0.997935 0.743508 ] [ 0.772248 0.477932 0.272806 ] [ 0.746331 0.741216 0.914759 ] [ 0.220762 0.745756 0.358974 ] [ 0.775634 0.250329 0.640406 ] [ 0.292022 0.253452 0.408212 ] [ 0.701176 0.746027 0.591173 ] [ 0.271505 0.748877 0.051739 ] [ 0.736145 0.258617 0.945509 ] [ 0.717847 0.271597 0.091786 ] [ 0.026685 0.750805 0.090834 ] [ 0.457014 0.74233 0.154553 ] [ 0.218824 0.063986 0.316353 ] [ 0.181161 0.430121 0.317116 ] [ 0.597971 0.271095 0.420462 ] [ 0.817595 0.734118 0.429601 ] [ 0.18212 0.249055 0.569857 ] [ 0.397182 0.747271 0.573053 ] [ 0.783881 0.569227 0.691748 ] [ 0.789353 0.9339 0.680309 ] [ 0.526637 0.250984 0.860575 ] [ 0.963 0.252596 0.881827 ] [ 0.337364 0.752795 0.91145 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Li" "Li" "Mn" "Mn" "P" "P" "C" "C" "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" 5.11277176 "source-unit" "angstrom" } "b" { "source-value" 6.78910857 "source-unit" "angstrom" } "c" { "source-value" 8.87032414 "source-unit" "angstrom" } "alpha" { "source-value" 90.72375988 "source-unit" "degree" } "beta" { "source-value" 90.84342324 "source-unit" "degree" } "gamma" { "source-value" 90.07023394 "source-unit" "degree" } }