{ "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 0.675904 0.75 ] [ 0 0.324096 0.25 ] [ 0.5 0.175904 0.75 ] [ 0.5 0.824096 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.68006 0.25 ] [ 0 0.31994 0.75 ] [ 0.5 0.18006 0.25 ] [ 0.5 0.81994 0.75 ] [ 0 0.063434 0.25 ] [ 0 0.936566 0.75 ] [ 0.089196 0.208217 0.606435 ] [ 0.910804 0.208217 0.893565 ] [ 0.910804 0.791783 0.393565 ] [ 0.089196 0.791783 0.106435 ] [ 0.697373 0.057229 0.404976 ] [ 0.302627 0.057229 0.095024 ] [ 0.302627 0.942771 0.595024 ] [ 0.697373 0.942771 0.904976 ] [ 0.5 0.563434 0.25 ] [ 0.5 0.436566 0.75 ] [ 0.589196 0.708217 0.606435 ] [ 0.410804 0.708217 0.893565 ] [ 0.410804 0.291783 0.393565 ] [ 0.589196 0.291783 0.106435 ] [ 0.197373 0.557229 0.404976 ] [ 0.802627 0.557229 0.095024 ] [ 0.802627 0.442771 0.595024 ] [ 0.197373 0.442771 0.904976 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ta" "Ta" "Ta" "Ta" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.01802516396 "source-unit" "angstrom" } "b" { "source-value" 8.99119043161 "source-unit" "angstrom" } "c" { "source-value" 7.51781753894 "source-unit" "angstrom" } "beta" { "source-value" 115.357205212 "source-unit" "degree" } }