{ "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" [ [ 0.349576 0.622019 0.271826 ] [ 0.161926 0.759061 0.002259 ] [ 0.838074 0.259061 0.497741 ] [ 0.650424 0.122019 0.228174 ] [ 0.349576 0.877981 0.771826 ] [ 0.161926 0.740939 0.502259 ] [ 0.838074 0.240939 0.997741 ] [ 0.650424 0.377981 0.728174 ] [ 0.755917 0.830012 0.620421 ] [ 0.244083 0.330012 0.879579 ] [ 0.755917 0.669988 0.120421 ] [ 0.244083 0.169988 0.379579 ] [ 0.607287 0.139835 0.601887 ] [ 0.520472 0.322661 0.342892 ] [ 0.935252 0.479148 0.878029 ] [ 0.479528 0.822661 0.157108 ] [ 0.090722 0.034113 0.890948 ] [ 0.909278 0.534113 0.609052 ] [ 0.607287 0.360165 0.101887 ] [ 0.064748 0.979148 0.621971 ] [ 0.935252 0.020852 0.378029 ] [ 0.392713 0.639835 0.898113 ] [ 0.090722 0.465887 0.390948 ] [ 0.909278 0.965887 0.109052 ] [ 0.520472 0.177339 0.842892 ] [ 0.064748 0.520852 0.121971 ] [ 0.479528 0.677339 0.657108 ] [ 0.392713 0.860165 0.398113 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "F" "F" "F" "F" "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" 5.59585321 "source-unit" "angstrom" } "b" { "source-value" 5.60216706 "source-unit" "angstrom" } "c" { "source-value" 11.05644188 "source-unit" "angstrom" } "beta" { "source-value" 110.96246503 "source-unit" "degree" } }