{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.324822 0.110901 0.06748 ] [ 0.675178 0.110901 0.43252 ] [ 0.675178 0.889099 0.93252 ] [ 0.324822 0.889099 0.56748 ] [ 0 0.402856 0.75 ] [ 0 0.597144 0.25 ] [ 0.213694 0.616612 0.130879 ] [ 0.732742 0.902692 0.620635 ] [ 0.786306 0.616612 0.369121 ] [ 0.732742 0.097308 0.120635 ] [ 0.267258 0.902692 0.879365 ] [ 0.213694 0.383388 0.630879 ] [ 0.267258 0.097308 0.379365 ] [ 0.786306 0.383388 0.869121 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "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" 5.19421112 "source-unit" "angstrom" } "b" { "source-value" 3.13713385 "source-unit" "angstrom" } "c" { "source-value" 10.71736514 "source-unit" "angstrom" } "beta" { "source-value" 114.18770088 "source-unit" "degree" } }