{ "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" [ [ 0.916568 0.521776 0.150568 ] [ 0.41519 0.019833 0.651486 ] [ 0.583829 0.97908 0.34707 ] [ 0.085133 0.482025 0.849476 ] [ 0.90369 0.25618 0.509545 ] [ 0.095488 0.743916 0.491014 ] [ 0.59533 0.242277 0.989558 ] [ 0.411176 0.75451 0.011685 ] [ 0.097726 0.09298 0.166775 ] [ 0.399807 0.407902 0.33122 ] [ 0.597589 0.59478 0.668406 ] [ 0.903318 0.903147 0.834209 ] [ 0.989869 0.254936 0.042075 ] [ 0.957212 0.010797 0.313316 ] [ 0.355372 0.019653 0.150611 ] [ 0.539212 0.495517 0.184781 ] [ 0.509561 0.246354 0.454821 ] [ 0.142129 0.478988 0.347865 ] [ 0.855319 0.521065 0.652862 ] [ 0.490947 0.755743 0.542396 ] [ 0.455957 0.510356 0.813479 ] [ 0.642083 0.97105 0.849945 ] [ 0.040939 0.990164 0.687453 ] [ 0.016556 0.74697 0.959382 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "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" 5.17509638 "source-unit" "angstrom" } "b" { "source-value" 6.25005509 "source-unit" "angstrom" } "c" { "source-value" 8.0721445 "source-unit" "angstrom" } "alpha" { "source-value" 78.39409968 "source-unit" "degree" } "beta" { "source-value" 88.8072092 "source-unit" "degree" } "gamma" { "source-value" 87.69620477 "source-unit" "degree" } }