{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.706289 0.5 0.007579 ] [ 0.660008 0.5 0.641945 ] [ 0.635128 0.5 0.350164 ] [ 0.206635 0.5 0.507967 ] [ 0.156917 0.5 0.143764 ] [ 0.132879 0.5 0.848517 ] [ 0.366529 0 0.994242 ] [ 0.864422 0 0.495842 ] [ 0.823426 0 0.183758 ] [ 0.813298 0 0.820063 ] [ 0.323794 0 0.683643 ] [ 0.312355 0 0.320216 ] [ 0.999756 0.5 0.333445 ] [ 0.99887 0 0.001033 ] [ 0.000122 0.5 0.666579 ] [ 0.500951 0.5 0.83135 ] [ 0.500147 0 0.500256 ] [ 0.50081 0.5 0.16787 ] [ 0.988899 0.5 0.569512 ] [ 0.981123 0.5 0.236807 ] [ 0.863801 0.5 0.391285 ] [ 0.86048 0.5 0.720663 ] [ 0.845583 0 0.042238 ] [ 0.654105 0.5 0.872031 ] [ 0.651246 0.5 0.211559 ] [ 0.640238 0 0.554495 ] [ 0.511992 0 0.403201 ] [ 0.491324 0.5 0.071149 ] [ 0.483316 0.5 0.734587 ] [ 0.362686 0.5 0.887887 ] [ 0.359589 0.5 0.221132 ] [ 0.348566 0 0.542648 ] [ 0.154685 0.5 0.372822 ] [ 0.151261 0.5 0.70935 ] [ 0.136528 0 0.056663 ] [ 0.012243 0 0.903739 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Fe" "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "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" 8.24169302 "source-unit" "angstrom" } "b" { "source-value" 3.13699281 "source-unit" "angstrom" } "c" { "source-value" 14.29532031 "source-unit" "angstrom" } "beta" { "source-value" 90.06228949 "source-unit" "degree" } }