{ "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" [ [ 0.723665 0.5 0.700499 ] [ 0.976717 0 0.275841 ] [ 0.302102 0 0.022266 ] [ 0.302756 0.5 0.019524 ] [ 0.637419 0.751449 0.987358 ] [ 0.637419 0.248551 0.987358 ] [ 0.358251 0.750352 0.379364 ] [ 0.358251 0.249648 0.379364 ] [ 0.002146 0.250743 0.630135 ] [ 0.002146 0.749257 0.630135 ] [ 0.341356 0.5 0.672893 ] [ 0.321248 0 0.667497 ] [ 0.66367 0.5 0.335149 ] [ 0.656414 0 0.323853 ] [ 0.008349 0.250638 0.000383 ] [ 0.008349 0.749362 0.000383 ] [ 0.905459 0.269044 0.80931 ] [ 0.905459 0.730956 0.80931 ] [ 0.536258 0.5 0.787166 ] [ 0.855126 0.5 0.458978 ] [ 0.50932 0 0.78164 ] [ 0.849341 0 0.437822 ] [ 0.918263 0.23277 0.101903 ] [ 0.918263 0.76723 0.101903 ] [ 0.224581 0.5 0.749089 ] [ 0.5478 0.5 0.413177 ] [ 0.199232 0 0.741602 ] [ 0.53332 0 0.391495 ] [ 0.265907 0.5 0.482385 ] [ 0.243497 0 0.473887 ] [ 0.590431 0.5 0.14546 ] [ 0.584438 0 0.132708 ] [ 0.203438 0.749891 0.08901 ] [ 0.203438 0.250109 0.08901 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "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" 8.23542052 "source-unit" "angstrom" } "b" { "source-value" 6.34833981 "source-unit" "angstrom" } "c" { "source-value" 8.29182484 "source-unit" "angstrom" } "beta" { "source-value" 119.59921199 "source-unit" "degree" } }