{ "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" [ [ 0.108793 0.5 0.820814 ] [ 0.891207 0.5 0.179186 ] [ 0.608793 0 0.820814 ] [ 0.391207 0 0.179186 ] [ 0.841791 0 0.675407 ] [ 0.158209 0 0.324593 ] [ 0.341791 0.5 0.675407 ] [ 0.658209 0.5 0.324593 ] [ 0 0 0 ] [ 0.750474 0 0.268596 ] [ 0.249526 0 0.731404 ] [ 0.5 0.5 0 ] [ 0.250474 0.5 0.268596 ] [ 0.749526 0.5 0.731404 ] ] } "species" { "source-value" [ "Gd" "Gd" "Gd" "Gd" "Mo" "Mo" "Mo" "Mo" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.8948360374 "source-unit" "angstrom" } "b" { "source-value" 3.37260814668 "source-unit" "angstrom" } "c" { "source-value" 5.78490203119 "source-unit" "angstrom" } "beta" { "source-value" 113.276342583 "source-unit" "degree" } }