{ "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" [ [ 0.423763 0.092002 0.239669 ] [ 0.078739 0.210646 0.455174 ] [ 0.296965 0.576112 0.932798 ] [ 0.696196 0.376598 0.092397 ] [ 0.927658 0.80916 0.553269 ] [ 0.57377 0.899304 0.743063 ] [ 0.275742 0.115372 0.850912 ] [ 0.866035 0.230331 0.753236 ] [ 0.007415 0.005685 0.995171 ] [ 0.484864 0.295614 0.687982 ] [ 0.702774 0.418662 0.508002 ] [ 0.142182 0.351588 0.146849 ] [ 0.881536 0.619653 0.856071 ] [ 0.273338 0.627933 0.5576 ] [ 0.524499 0.708878 0.320919 ] [ 0.128659 0.789924 0.23897 ] [ 0.735411 0.868422 0.155602 ] [ 0.230427 0.133794 0.0647 ] [ 0.715409 0.425924 0.745268 ] [ 0.989909 0.007231 0.753982 ] [ 0.635002 0.084996 0.683283 ] [ 0.620364 0.073919 0.168385 ] [ 0.25038 0.154455 0.624189 ] [ 0.884528 0.246526 0.529027 ] [ 0.485103 0.292555 0.926186 ] [ 0.109006 0.3794 0.892231 ] [ 0.470695 0.28545 0.44085 ] [ 0.886656 0.253264 0.019621 ] [ 0.134366 0.402578 0.385351 ] [ 0.664232 0.49247 0.304403 ] [ 0.343551 0.512676 0.725683 ] [ 0.912723 0.622708 0.635759 ] [ 0.115398 0.757979 0.988322 ] [ 0.274222 0.578695 0.220473 ] [ 0.514004 0.68846 0.545134 ] [ 0.881891 0.654617 0.109825 ] [ 0.773784 0.859665 0.913475 ] [ 0.518785 0.692434 0.083782 ] [ 0.107059 0.765624 0.451704 ] [ 0.750926 0.852373 0.386898 ] [ 0.350339 0.874803 0.7632 ] [ 0.365951 0.906145 0.317599 ] [ 0.995745 0.005375 0.232987 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.10264173 "source-unit" "angstrom" } "b" { "source-value" 8.21026862 "source-unit" "angstrom" } "c" { "source-value" 8.75538292 "source-unit" "angstrom" } "alpha" { "source-value" 107.99160818 "source-unit" "degree" } "beta" { "source-value" 106.16858152 "source-unit" "degree" } "gamma" { "source-value" 90.09063505 "source-unit" "degree" } }