{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.255605 0.75 0.08906 ] [ 0.766157 0.980973 0.266526 ] [ 0.766157 0.519027 0.266526 ] [ 0.233843 0.480973 0.733474 ] [ 0.233843 0.019027 0.733474 ] [ 0.744395 0.25 0.91094 ] [ 0.211037 0.25 0.34441 ] [ 0.788963 0.75 0.65559 ] [ 0.287276 0.75 0.413891 ] [ 0.712724 0.25 0.586109 ] [ 0.275614 0.25 0.044181 ] [ 0.724386 0.75 0.955819 ] [ 0.027508 0.25 0.085034 ] [ 0.664527 0.75 0.10553 ] [ 0.470084 0.25 0.154353 ] [ 0.187041 0.938693 0.312609 ] [ 0.187041 0.561307 0.312609 ] [ 0.602038 0.75 0.433041 ] [ 0.82306 0.25 0.41685 ] [ 0.17694 0.75 0.58315 ] [ 0.397962 0.25 0.566959 ] [ 0.812959 0.438693 0.687391 ] [ 0.812959 0.061307 0.687391 ] [ 0.529916 0.75 0.845647 ] [ 0.335473 0.25 0.89447 ] [ 0.972492 0.75 0.914966 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mg" "Mg" "P" "P" "C" "C" "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" 4.95614417 "source-unit" "angstrom" } "b" { "source-value" 6.47029557 "source-unit" "angstrom" } "c" { "source-value" 8.39248691 "source-unit" "angstrom" } "beta" { "source-value" 93.13082077 "source-unit" "degree" } }