{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0 0.20873 0 ] [ 0.5 0.29127 0 ] [ 0.693576 0 0.463765 ] [ 0.806424 0.5 0.536235 ] [ 0.5 0.70873 0 ] [ 0 0.79127 0 ] [ 0.193576 0.5 0.463765 ] [ 0.306424 0 0.536235 ] ] } "species" { "source-value" [ "Li" "Li" "Mn" "Mn" "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" 6.78551298 "source-unit" "angstrom" } "b" { "source-value" 6.40399855 "source-unit" "angstrom" } "c" { "source-value" 3.19117763 "source-unit" "angstrom" } "beta" { "source-value" 93.82483326 "source-unit" "degree" } }