{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.505104 0.261929 0.500028 ] [ 0.743804 0.205777 0.241824 ] [ 0.505104 0.738071 0.000028 ] [ 0.743804 0.794223 0.741824 ] [ 0.001552 0.249635 0.000097 ] [ 0.001552 0.750365 0.500097 ] [ 0.104535 0.302682 0.229885 ] [ 0.777972 0.556673 0.927355 ] [ 0.369602 0.580313 0.558641 ] [ 0.653008 0.06915 0.953845 ] [ 0.239083 0.043651 0.567919 ] [ 0.872916 0.820074 0.269822 ] [ 0.104535 0.697318 0.729885 ] [ 0.777972 0.443327 0.427355 ] [ 0.369602 0.419687 0.058641 ] [ 0.653008 0.93085 0.453845 ] [ 0.239083 0.956349 0.067919 ] [ 0.872916 0.179926 0.769822 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Mn" "Mn" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.08279013 "source-unit" "angstrom" } "b" { "source-value" 5.22130196 "source-unit" "angstrom" } "c" { "source-value" 9.0725795 "source-unit" "angstrom" } "beta" { "source-value" 124.12258834 "source-unit" "degree" } }