{ "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" [ [ 0.783386 0.951077 0.216692 ] [ 0.783386 0.548923 0.216692 ] [ 0.216614 0.451077 0.783308 ] [ 0.216614 0.048923 0.783308 ] [ 0.23719 0.25 0.366293 ] [ 0.76281 0.75 0.633707 ] [ 0.262972 0.75 0.395411 ] [ 0.737028 0.25 0.604589 ] [ 0.25884 0.25 0.068044 ] [ 0.74116 0.75 0.931956 ] [ 0.735557 0.75 0.069365 ] [ 0.034715 0.25 0.14093 ] [ 0.474758 0.25 0.148918 ] [ 0.117878 0.929359 0.329631 ] [ 0.117878 0.570641 0.329631 ] [ 0.76776 0.25 0.433914 ] [ 0.559083 0.75 0.360241 ] [ 0.440917 0.25 0.639759 ] [ 0.23224 0.75 0.566086 ] [ 0.882122 0.429359 0.670369 ] [ 0.882122 0.070641 0.670369 ] [ 0.525242 0.75 0.851082 ] [ 0.965285 0.75 0.85907 ] [ 0.264443 0.25 0.930635 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Bi" "Bi" "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" 5.07554884 "source-unit" "angstrom" } "b" { "source-value" 6.89339847 "source-unit" "angstrom" } "c" { "source-value" 9.17143613 "source-unit" "angstrom" } "beta" { "source-value" 90.33426932 "source-unit" "degree" } }