{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.715983 0.749399 0.698179 ] [ 0.715983 0.250601 0.698179 ] [ 0.983254 0.74895 0.284595 ] [ 0.983254 0.25105 0.284595 ] [ 0.301475 0.250179 0.016556 ] [ 0.301475 0.749821 0.016556 ] [ 0.628887 0 0.988152 ] [ 0.626501 0.5 0.987914 ] [ 0.35864 0 0.370847 ] [ 0.012036 0 0.641032 ] [ 0.359334 0.5 0.36661 ] [ 0.007555 0.5 0.639985 ] [ 0.999881 0 0.00005 ] [ 0.00256 0.5 0.002049 ] [ 0.666638 0.746342 0.334298 ] [ 0.666638 0.253658 0.334298 ] [ 0.332362 0.747176 0.665452 ] [ 0.332362 0.252824 0.665452 ] [ 0.89343 0.5 0.807797 ] [ 0.884146 0 0.806833 ] [ 0.860385 0.745839 0.441925 ] [ 0.860385 0.254161 0.441925 ] [ 0.922081 0 0.115759 ] [ 0.918944 0.5 0.111561 ] [ 0.55869 0.746109 0.419899 ] [ 0.55869 0.253891 0.419899 ] [ 0.581188 0.749975 0.141342 ] [ 0.581188 0.250025 0.141342 ] [ 0.526043 0.74933 0.777556 ] [ 0.526043 0.25067 0.777556 ] [ 0.193236 0 0.077353 ] [ 0.196695 0.5 0.085342 ] [ 0.220129 0.747236 0.747108 ] [ 0.220129 0.252764 0.747108 ] [ 0.251889 0.253496 0.472447 ] [ 0.251889 0.746504 0.472447 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "Fe" "Fe" "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" 8.25706 "source-unit" "angstrom" } "b" { "source-value" 6.33997618 "source-unit" "angstrom" } "c" { "source-value" 8.27033698 "source-unit" "angstrom" } "beta" { "source-value" 119.8759675 "source-unit" "degree" } }