{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.75 0.25 0.5 ] [ 0 0 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0.5 ] [ 0.25 0.75 0.5 ] [ 0.5 0.5 0.5 ] [ 0.75 0.75 0.5 ] [ 0.75 0.75 0 ] [ 0 0.5 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.5 0 0 ] [ 0.25 0.75 0 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.239978 0.5 0.233458 ] [ 0.99404 0.26711 0.2294 ] [ 0.246363 0 0.225286 ] [ 0.760022 0.5 0.766542 ] [ 0.99404 0.73289 0.2294 ] [ 0.00596 0.73289 0.7706 ] [ 0.753637 0 0.774714 ] [ 0.00596 0.26711 0.7706 ] [ 0.739978 0 0.233458 ] [ 0.49404 0.76711 0.2294 ] [ 0.746363 0.5 0.225286 ] [ 0.260022 0 0.766542 ] [ 0.49404 0.23289 0.2294 ] [ 0.50596 0.23289 0.7706 ] [ 0.253637 0.5 0.774714 ] [ 0.50596 0.76711 0.7706 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "Co" "Co" "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" 10.33052189 "source-unit" "angstrom" } "b" { "source-value" 5.94951705 "source-unit" "angstrom" } "c" { "source-value" 5.96756221 "source-unit" "angstrom" } "beta" { "source-value" 125.0873327 "source-unit" "degree" } }