{ "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" [ [ 0.831999 0 0.490165 ] [ 0 0.5 0.5 ] [ 0.668001 0.5 0.509835 ] [ 0.331999 0.5 0.490165 ] [ 0.5 0 0.5 ] [ 0.168001 0 0.509835 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.833983 0 0.005743 ] [ 0.666017 0.5 0.994257 ] [ 0.333983 0.5 0.005743 ] [ 0.166017 0 0.994257 ] [ 0.839034 0.5 0.783724 ] [ 0.005183 0 0.757601 ] [ 0.675165 0 0.7876 ] [ 0.994817 0 0.242399 ] [ 0.660966 0 0.216276 ] [ 0.824835 0.5 0.2124 ] [ 0.339034 0 0.783724 ] [ 0.505183 0.5 0.757601 ] [ 0.175165 0.5 0.7876 ] [ 0.494817 0.5 0.242399 ] [ 0.160966 0.5 0.216276 ] [ 0.324835 0 0.2124 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Mn" "Mn" "Co" "Co" "Co" "Co" "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" 14.82195153 "source-unit" "angstrom" } "b" { "source-value" 2.91302332 "source-unit" "angstrom" } "c" { "source-value" 5.86733308 "source-unit" "angstrom" } "beta" { "source-value" 125.13785986 "source-unit" "degree" } }