{ "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" [ [ 0.348353 0.321972 0.665911 ] [ 0.320911 0.348693 0.91589 ] [ 0.349106 0.321016 0.166076 ] [ 0.321115 0.349125 0.416093 ] [ 0.661763 0.653112 0.791543 ] [ 0.650847 0.661966 0.541334 ] [ 0.661809 0.651469 0.291162 ] [ 0.651376 0.661804 0.041172 ] [ 0.993292 0.326177 0.559138 ] [ 0.996264 0.329426 0.058453 ] [ 0.997489 0.676838 0.933366 ] [ 0.997563 0.676663 0.433709 ] [ 0.677035 0.99726 0.183475 ] [ 0.330586 0.995821 0.80756 ] [ 0.32903 0.996211 0.308477 ] [ 0.681833 0.994468 0.683802 ] [ 0.658397 0.00283 0.937007 ] [ 0.658524 0.002907 0.437122 ] [ 0.996274 0.334308 0.811436 ] [ 0.995625 0.334421 0.312097 ] [ 0.003649 0.661409 0.686852 ] [ 0.002591 0.658521 0.1871 ] [ 0.333749 0.994179 0.562906 ] [ 0.334394 0.995428 0.062085 ] [ 0.753518 0.070656 0.790287 ] [ 0.75267 0.06998 0.290975 ] [ 0.929963 0.253686 0.952094 ] [ 0.420796 0.033133 0.916284 ] [ 0.929895 0.253529 0.452267 ] [ 0.420764 0.033283 0.416443 ] [ 0.963136 0.577906 0.826795 ] [ 0.357688 0.267971 0.569862 ] [ 0.962174 0.577751 0.327361 ] [ 0.358862 0.269061 0.069418 ] [ 0.269554 0.358095 0.819064 ] [ 0.269174 0.358829 0.319467 ] [ 0.730301 0.640652 0.693732 ] [ 0.727753 0.629148 0.194357 ] [ 0.629291 0.727976 0.944223 ] [ 0.021923 0.414819 0.667975 ] [ 0.629202 0.728038 0.444467 ] [ 0.0335 0.420972 0.166433 ] [ 0.577217 0.961811 0.578379 ] [ 0.577887 0.962336 0.077356 ] [ 0.069882 0.751226 0.541452 ] [ 0.069918 0.752597 0.040954 ] [ 0.258666 0.929291 0.700658 ] [ 0.253494 0.930025 0.202134 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Fe" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.24491546 "source-unit" "angstrom" } "b" { "source-value" 5.25063158 "source-unit" "angstrom" } "c" { "source-value" 21.00507919 "source-unit" "angstrom" } "alpha" { "source-value" 91.04202581 "source-unit" "degree" } "beta" { "source-value" 90.95477927 "source-unit" "degree" } "gamma" { "source-value" 119.80226349 "source-unit" "degree" } }