{ "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 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.13637 0 0.931324 ] [ 0.36363 0.5 0.068676 ] [ 0.25 0.25 0.5 ] [ 0.25 0.75 0.5 ] [ 0.63637 0.5 0.931324 ] [ 0.86363 0 0.068676 ] [ 0.75 0.75 0.5 ] [ 0.75 0.25 0.5 ] [ 0.241101 0.5 0.693944 ] [ 0.258899 0 0.306056 ] [ 0.741101 0 0.693944 ] [ 0.758899 0.5 0.306056 ] [ 0.000956 0.262863 0.246507 ] [ 0.000956 0.737137 0.246507 ] [ 0.236136 0.5 0.222469 ] [ 0.263864 0 0.777531 ] [ 0.999044 0.262863 0.753493 ] [ 0.999044 0.737137 0.753493 ] [ 0.500956 0.762863 0.246507 ] [ 0.500956 0.237137 0.246507 ] [ 0.736136 0 0.222469 ] [ 0.763864 0.5 0.777531 ] [ 0.499044 0.762863 0.753493 ] [ 0.499044 0.237137 0.753493 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.51086101 "source-unit" "angstrom" } "b" { "source-value" 6.03963767 "source-unit" "angstrom" } "c" { "source-value" 6.08588553 "source-unit" "angstrom" } "beta" { "source-value" 123.89872992 "source-unit" "degree" } }