{ "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" [ [ 0.384205 0.051947 0.387634 ] [ 0.021127 0.146446 0.812155 ] [ 0.985717 0.851094 0.188371 ] [ 0.579596 0.65272 0.988471 ] [ 0.617343 0.947353 0.612651 ] [ 0.521736 0.133174 0.878812 ] [ 0.272074 0.277514 0.52354 ] [ 0.877557 0.066153 0.32225 ] [ 0.328559 0.523689 0.278861 ] [ 0.928936 0.322573 0.07764 ] [ 0.075196 0.668327 0.921177 ] [ 0.672291 0.477678 0.723042 ] [ 0.123214 0.934597 0.678273 ] [ 0.724384 0.723644 0.477207 ] [ 0.478065 0.86725 0.122955 ] [ 0.576217 0.00073 0.747804 ] [ 0.223658 0.398092 0.654342 ] [ 0.825798 0.194229 0.450677 ] [ 0.376564 0.403023 0.145954 ] [ 0.971628 0.204235 0.944448 ] [ 0.02384 0.79965 0.052452 ] [ 0.627674 0.59697 0.856363 ] [ 0.173708 0.80598 0.549617 ] [ 0.775263 0.602718 0.346087 ] [ 0.423983 0.997624 0.252184 ] [ 0.003834 0.122423 0.401949 ] [ 0.402981 0.057439 0.796042 ] [ 0.479802 0.121372 0.30175 ] [ 0.027115 0.301026 0.668225 ] [ 0.606901 0.118864 0.457661 ] [ 0.174323 0.295977 0.932624 ] [ 0.801269 0.068339 0.743371 ] [ 0.351851 0.227498 0.105086 ] [ 0.945759 0.042555 0.898658 ] [ 0.401542 0.313461 0.606299 ] [ 0.20305 0.487814 0.193563 ] [ 0.796215 0.284695 0.991549 ] [ 0.251171 0.571446 0.694908 ] [ 0.87635 0.337991 0.495032 ] [ 0.419238 0.515216 0.86708 ] [ 0.573466 0.500895 0.131306 ] [ 0.130022 0.655746 0.505394 ] [ 0.750637 0.427891 0.305241 ] [ 0.195822 0.742313 0.003418 ] [ 0.803464 0.514286 0.80882 ] [ 0.597373 0.687276 0.39307 ] [ 0.077962 0.924022 0.10232 ] [ 0.664207 0.749283 0.902506 ] [ 0.196691 0.935351 0.256415 ] [ 0.799343 0.732229 0.057164 ] [ 0.390889 0.886996 0.54195 ] [ 0.973076 0.699892 0.332405 ] [ 0.524473 0.876109 0.697517 ] [ 0.602283 0.931472 0.203906 ] [ 0.997072 0.877485 0.598059 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "O" "O" "O" "O" "O" "O" "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" 5.28782317 "source-unit" "angstrom" } "b" { "source-value" 5.77864549 "source-unit" "angstrom" } "c" { "source-value" 22.10295556 "source-unit" "angstrom" } "alpha" { "source-value" 89.30755072 "source-unit" "degree" } "beta" { "source-value" 89.32095411 "source-unit" "degree" } "gamma" { "source-value" 66.29311236 "source-unit" "degree" } }