{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.379567 0.25 ] [ 0.5 0.120433 0.75 ] [ 0.5 0.879567 0.25 ] [ 0 0.620433 0.75 ] [ 0 0.125786 0.75 ] [ 0.5 0.374214 0.25 ] [ 0.5 0.625786 0.75 ] [ 0 0.874214 0.25 ] [ 0.281542 0.457437 0.70238 ] [ 0.663936 0.206312 0.632852 ] [ 0.781542 0.042563 0.20238 ] [ 0.336064 0.206312 0.867148 ] [ 0.218458 0.042563 0.29762 ] [ 0.718458 0.457437 0.79762 ] [ 0.163936 0.293688 0.132852 ] [ 0.836064 0.293688 0.367148 ] [ 0.781542 0.957437 0.70238 ] [ 0.163936 0.706312 0.632852 ] [ 0.281542 0.542563 0.20238 ] [ 0.836064 0.706312 0.867148 ] [ 0.718458 0.542563 0.29762 ] [ 0.218458 0.957437 0.79762 ] [ 0.663936 0.793688 0.132852 ] [ 0.336064 0.793688 0.367148 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Y" "Y" "Y" "Y" "F" "F" "F" "F" "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" 7.37124535061 "source-unit" "angstrom" } "b" { "source-value" 10.8651617088 "source-unit" "angstrom" } "c" { "source-value" 5.22970200486 "source-unit" "angstrom" } "beta" { "source-value" 134.368785679 "source-unit" "degree" } }