{ "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" [ [ 0.351714 0.333078 0.331424 ] [ 0.319996 0.340727 0.834343 ] [ 0.672038 0.654639 0.581589 ] [ 0.639254 0.656652 0.083701 ] [ 0.998571 0.671654 0.865928 ] [ 0.985388 0.31814 0.119514 ] [ 0.681626 0.017694 0.369362 ] [ 0.332485 0.000154 0.616991 ] [ 0.660453 0.998076 0.87381 ] [ 0.001553 0.331444 0.622044 ] [ 0.007151 0.669653 0.373493 ] [ 0.319878 0.988398 0.12556 ] [ 0.753446 0.066985 0.583785 ] [ 0.933104 0.249438 0.90572 ] [ 0.423051 0.030428 0.831774 ] [ 0.979959 0.582669 0.650332 ] [ 0.335712 0.261941 0.139396 ] [ 0.276763 0.351803 0.635546 ] [ 0.734478 0.6466 0.385569 ] [ 0.629465 0.721389 0.887216 ] [ 0.029657 0.422619 0.334898 ] [ 0.570944 0.968101 0.155837 ] [ 0.058712 0.739386 0.084102 ] [ 0.264002 0.937731 0.404264 ] ] } "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" 5.22779607 "source-unit" "angstrom" } "b" { "source-value" 5.23009528 "source-unit" "angstrom" } "c" { "source-value" 10.40636884 "source-unit" "angstrom" } "alpha" { "source-value" 90.77013767 "source-unit" "degree" } "beta" { "source-value" 91.23040819 "source-unit" "degree" } "gamma" { "source-value" 119.89853966 "source-unit" "degree" } }