{ "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 0.790793 0.75 ] [ 0 0.209207 0.25 ] [ 0.496834 0.82608 0.866557 ] [ 0.503166 0.82608 0.633443 ] [ 0.496834 0.17392 0.366557 ] [ 0.503166 0.17392 0.133443 ] [ 0.235132 0.315943 0.565508 ] [ 0.235132 0.684057 0.065508 ] [ 0.764868 0.315943 0.934492 ] [ 0.764868 0.684057 0.434492 ] [ 0.193443 0.182563 0.958365 ] [ 0.193443 0.817437 0.458365 ] [ 0.5 0.332993 0.75 ] [ 0.5 0.667007 0.25 ] [ 0.806557 0.182563 0.541635 ] [ 0.806557 0.817437 0.041635 ] [ 0.043441 0.297207 0.893912 ] [ 0.043441 0.702793 0.393912 ] [ 0.244226 0.915679 0.949037 ] [ 0.244226 0.084321 0.449037 ] [ 0.295605 0.669534 0.534074 ] [ 0.295605 0.330466 0.034074 ] [ 0.402129 0.178883 0.671607 ] [ 0.402129 0.821117 0.171607 ] [ 0.5 0.59886 0.75 ] [ 0.5 0.40114 0.25 ] [ 0.597871 0.178883 0.828393 ] [ 0.597871 0.821117 0.328393 ] [ 0.704395 0.669534 0.965926 ] [ 0.704395 0.330466 0.465926 ] [ 0.755774 0.915679 0.550963 ] [ 0.755774 0.084321 0.050963 ] [ 0.956559 0.297207 0.606088 ] [ 0.956559 0.702793 0.106088 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "B" "B" "B" "B" "B" "B" "O" "O" "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" 6.39371685 "source-unit" "angstrom" } "b" { "source-value" 5.04354002 "source-unit" "angstrom" } "c" { "source-value" 12.93604934 "source-unit" "angstrom" } "beta" { "source-value" 91.33172803 "source-unit" "degree" } }