{ "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" [ [ 0.604942 0.228336 0.139625 ] [ 0.80713 0.355231 0.452692 ] [ 0.19287 0.644769 0.547308 ] [ 0.395058 0.771664 0.860375 ] [ 0.647097 0.853961 0.444794 ] [ 0.133556 0.352635 0.924531 ] [ 0.866444 0.647365 0.075469 ] [ 0.352903 0.146039 0.555206 ] [ 0.538898 0.540125 0.252692 ] [ 0.037354 0.758903 0.750114 ] [ 0.745217 0.043123 0.737923 ] [ 0.254783 0.956877 0.262077 ] [ 0.962646 0.241097 0.249886 ] [ 0.461102 0.459875 0.747308 ] [ 0.455329 0.98296 0.266996 ] [ 0.528728 0.674155 0.316943 ] [ 0.393564 0.542097 0.068411 ] [ 0.198518 0.119505 0.091874 ] [ 0.515173 0.326778 0.394617 ] [ 0.850337 0.752725 0.599924 ] [ 0.018846 0.690781 0.94128 ] [ 0.74393 0.599571 0.245984 ] [ 0.200126 0.956499 0.72745 ] [ 0.880356 0.247003 0.729424 ] [ 0.115624 0.621383 0.750689 ] [ 0.73886 0.041476 0.555679 ] [ 0.26114 0.958524 0.444321 ] [ 0.884376 0.378617 0.249311 ] [ 0.119644 0.752997 0.270576 ] [ 0.799874 0.043501 0.27255 ] [ 0.25607 0.400429 0.754016 ] [ 0.981154 0.309219 0.05872 ] [ 0.149663 0.247275 0.400076 ] [ 0.484827 0.673222 0.605383 ] [ 0.801482 0.880495 0.908126 ] [ 0.606436 0.457903 0.931589 ] [ 0.471272 0.325845 0.683057 ] [ 0.544671 0.01704 0.733004 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "P" "P" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.36619634 "source-unit" "angstrom" } "b" { "source-value" 8.39546485 "source-unit" "angstrom" } "c" { "source-value" 8.66983765 "source-unit" "angstrom" } "alpha" { "source-value" 118.56444265 "source-unit" "degree" } "beta" { "source-value" 89.25322563 "source-unit" "degree" } "gamma" { "source-value" 118.19579948 "source-unit" "degree" } }