{ "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" [ [ 0.762382 0 0.717936 ] [ 0.191847 0.5 0.008115 ] [ 0.363236 0.5 0.280595 ] [ 0.636764 0.5 0.719405 ] [ 0.808153 0.5 0.991885 ] [ 0.237618 0 0.282064 ] [ 0.262382 0.5 0.717936 ] [ 0.691847 0 0.008115 ] [ 0.863236 0 0.280595 ] [ 0.136764 0 0.719405 ] [ 0.308153 0 0.991885 ] [ 0.737618 0.5 0.282064 ] [ 0.719074 0 0.84329 ] [ 0.280926 0 0.15671 ] [ 0.219074 0.5 0.84329 ] [ 0.780926 0.5 0.15671 ] [ 0.840729 0 0.50237 ] [ 0.159271 0 0.49763 ] [ 0.941195 0 0.162117 ] [ 0.058805 0 0.837883 ] [ 0.5 0 0.5 ] [ 0.113189 0.5 0.152138 ] [ 0.886811 0.5 0.847862 ] [ 0.340729 0.5 0.50237 ] [ 0.659271 0.5 0.49763 ] [ 0.441195 0.5 0.162117 ] [ 0.558805 0.5 0.837883 ] [ 0 0.5 0.5 ] [ 0.613189 0 0.152138 ] [ 0.386811 0 0.847862 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "C" "C" "C" "C" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 23.266757255 "source-unit" "angstrom" } "b" { "source-value" 3.93349799592 "source-unit" "angstrom" } "c" { "source-value" 12.9271853389 "source-unit" "angstrom" } "beta" { "source-value" 127.381000075 "source-unit" "degree" } }