{ "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" [ [ 0.400849 0.531916 0.835702 ] [ 0.1032 0.964819 0.662083 ] [ 0.897535 0.034291 0.338433 ] [ 0.596255 0.468343 0.165323 ] [ 0.721778 0.866294 0.882457 ] [ 0.785703 0.63483 0.615982 ] [ 0.21739 0.361355 0.382032 ] [ 0.283819 0.126849 0.117987 ] [ 0.060351 0.205339 0.869164 ] [ 0.439856 0.295714 0.628098 ] [ 0.560029 0.704291 0.370731 ] [ 0.940734 0.796817 0.132222 ] [ 0.803437 0.46582 0.837852 ] [ 0.288423 0.219721 0.914335 ] [ 0.097398 0.935346 0.850691 ] [ 0.695439 0.028643 0.65717 ] [ 0.412332 0.560469 0.646299 ] [ 0.203635 0.286817 0.586426 ] [ 0.796151 0.713453 0.411854 ] [ 0.586543 0.439497 0.35308 ] [ 0.30361 0.971028 0.341933 ] [ 0.910425 0.065719 0.148691 ] [ 0.702435 0.791636 0.089885 ] [ 0.192672 0.530992 0.16157 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "B" "B" "B" "B" "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" 5.16697773 "source-unit" "angstrom" } "b" { "source-value" 5.22160391 "source-unit" "angstrom" } "c" { "source-value" 10.99826357 "source-unit" "angstrom" } "alpha" { "source-value" 77.08686025 "source-unit" "degree" } "beta" { "source-value" 78.9445769 "source-unit" "degree" } "gamma" { "source-value" 60.7893713 "source-unit" "degree" } }