{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0 0.555162 0.25 ] [ 0.5 0.944838 0.75 ] [ 0.75 0.25 0.5 ] [ 0.25 0.25 0 ] [ 0.5 0.055162 0.25 ] [ 0 0.444838 0.75 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0 0 0 ] [ 0.25 0.75 0 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0.5 0 ] [ 0.75 0.25 0 ] [ 0.722844 0.489957 0.973739 ] [ 0.980998 0.753954 0.48129 ] [ 0.777156 0.989957 0.526261 ] [ 0.480998 0.746046 0.98129 ] [ 0.019002 0.753954 0.01871 ] [ 0.722844 0.510043 0.473739 ] [ 0.519002 0.746046 0.51871 ] [ 0.777156 0.010043 0.026261 ] [ 0.222844 0.989957 0.973739 ] [ 0.480998 0.253954 0.48129 ] [ 0.277156 0.489957 0.526261 ] [ 0.980998 0.246046 0.98129 ] [ 0.519002 0.253954 0.01871 ] [ 0.222844 0.010043 0.473739 ] [ 0.019002 0.246046 0.51871 ] [ 0.277156 0.510043 0.026261 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "O" "O" "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" 8.23132755111 "source-unit" "angstrom" } "b" { "source-value" 8.07984845006 "source-unit" "angstrom" } "c" { "source-value" 6.12676365836 "source-unit" "angstrom" } "beta" { "source-value" 128.151399583 "source-unit" "degree" } }