{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.887121 0.150192 0.059201 ] [ 0.887121 0.849808 0.559201 ] [ 0.78554 0.341143 0.363419 ] [ 0.197349 0.295052 0.154198 ] [ 0.78554 0.658857 0.863419 ] [ 0.197349 0.704948 0.654198 ] [ 0.120305 0.151877 0.468168 ] [ 0.120305 0.848123 0.968168 ] [ 0.387121 0.650192 0.059201 ] [ 0.387121 0.349808 0.559201 ] [ 0.28554 0.841143 0.363419 ] [ 0.697349 0.795052 0.154198 ] [ 0.28554 0.158857 0.863419 ] [ 0.697349 0.204948 0.654198 ] [ 0.620305 0.651877 0.468168 ] [ 0.620305 0.348123 0.968168 ] [ 0.01601 0.638247 0.250668 ] [ 0.01601 0.361753 0.750668 ] [ 0.51601 0.138247 0.250668 ] [ 0.51601 0.861753 0.750668 ] [ 0.846523 0.506963 0.152323 ] [ 0.846523 0.493037 0.652323 ] [ 0.186895 0.503296 0.393628 ] [ 0.067697 0.945809 0.206027 ] [ 0.186895 0.496704 0.893628 ] [ 0.067697 0.054191 0.706027 ] [ 0.346523 0.006963 0.152323 ] [ 0.346523 0.993037 0.652323 ] [ 0.686895 0.003296 0.393628 ] [ 0.567697 0.445809 0.206027 ] [ 0.686895 0.996704 0.893628 ] [ 0.567697 0.554191 0.706027 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "Cr" "Cr" "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" 11.39055342 "source-unit" "angstrom" } "b" { "source-value" 5.84294911 "source-unit" "angstrom" } "c" { "source-value" 8.28761206 "source-unit" "angstrom" } "beta" { "source-value" 113.42768324 "source-unit" "degree" } }