{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.114753 0.5 0.867325 ] [ 0.614753 0 0.867325 ] [ 0.872226 0.736671 0.385276 ] [ 0.976366 0 0.941253 ] [ 0.123825 0.5 0.377527 ] [ 0.782047 0.5 0.792286 ] [ 0.872226 0.263329 0.385276 ] [ 0.372226 0.236671 0.385276 ] [ 0.476366 0.5 0.941253 ] [ 0.623825 0 0.377527 ] [ 0.282047 0 0.792286 ] [ 0.372226 0.763329 0.385276 ] [ 0.899354 0.5 0.178835 ] [ 0.849868 0 0.562829 ] [ 0.889319 0.5 0.627904 ] [ 0.399354 0 0.178835 ] [ 0.349868 0.5 0.562829 ] [ 0.389319 0 0.627904 ] [ 0.130578 0.74073 0.644527 ] [ 0.122805 0.744841 0.112128 ] [ 0.122805 0.255159 0.112128 ] [ 0.863249 0 0.118179 ] [ 0.130578 0.25927 0.644527 ] [ 0.630578 0.24073 0.644527 ] [ 0.622805 0.244841 0.112128 ] [ 0.622805 0.755159 0.112128 ] [ 0.363249 0.5 0.118179 ] [ 0.630578 0.75927 0.644527 ] ] } "species" { "source-value" [ "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "O" "O" "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" 10.62764169 "source-unit" "angstrom" } "b" { "source-value" 6.0545464 "source-unit" "angstrom" } "c" { "source-value" 6.10924967 "source-unit" "angstrom" } "beta" { "source-value" 124.16982163 "source-unit" "degree" } }