{ "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 0.916809 0.25 ] [ 0 0.083191 0.75 ] [ 0.5 0.416809 0.25 ] [ 0.5 0.583191 0.75 ] [ 0 0.249718 0.25 ] [ 0 0.58311 0.25 ] [ 0 0.41689 0.75 ] [ 0 0.750282 0.75 ] [ 0.5 0.749718 0.25 ] [ 0.5 0.08311 0.25 ] [ 0.5 0.91689 0.75 ] [ 0.5 0.250282 0.75 ] [ 0.752105 0.416208 0.00087 ] [ 0.747895 0.083792 0.99913 ] [ 0.247895 0.416208 0.49913 ] [ 0.25 0.25 0 ] [ 0.252105 0.083792 0.50087 ] [ 0.75 0.25 0.5 ] [ 0.252105 0.916208 0.00087 ] [ 0.247895 0.583792 0.99913 ] [ 0.747895 0.916208 0.49913 ] [ 0.75 0.75 0 ] [ 0.752105 0.583792 0.50087 ] [ 0.25 0.75 0.5 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.29220642893 "source-unit" "angstrom" } "b" { "source-value" 12.5348508468 "source-unit" "angstrom" } "c" { "source-value" 7.2414054255 "source-unit" "angstrom" } "beta" { "source-value" 109.687917411 "source-unit" "degree" } }