{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.605707 0.434816 0.799961 ] [ 0.394293 0.934816 0.700039 ] [ 0.605707 0.065184 0.299961 ] [ 0.394293 0.565184 0.200039 ] [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.122248 0.261435 0.869887 ] [ 0.877752 0.761435 0.630113 ] [ 0.122248 0.238565 0.369887 ] [ 0.877752 0.738565 0.130113 ] [ 0.274335 0.108198 0.914227 ] [ 0.22343 0.421858 0.842418 ] [ 0.114185 0.7395 0.597312 ] [ 0.885815 0.2395 0.902688 ] [ 0.77657 0.921858 0.657582 ] [ 0.725665 0.608198 0.585773 ] [ 0.274335 0.391802 0.414227 ] [ 0.22343 0.078142 0.342418 ] [ 0.114185 0.7605 0.097312 ] [ 0.885815 0.2605 0.402688 ] [ 0.77657 0.578142 0.157582 ] [ 0.725665 0.891802 0.085773 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "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" 5.39177651 "source-unit" "angstrom" } "b" { "source-value" 7.6673816 "source-unit" "angstrom" } "c" { "source-value" 5.87409664 "source-unit" "angstrom" } "beta" { "source-value" 117.9276034 "source-unit" "degree" } }