{ "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" [ [ 0.793388 0.5 0.762829 ] [ 0.206612 0.5 0.237171 ] [ 0.293388 0 0.762829 ] [ 0.706612 0 0.237171 ] [ 0.848928 0.5 0.503385 ] [ 0 0 0.5 ] [ 0.213493 0.5 0.948014 ] [ 0.286507 0 0.051986 ] [ 0 0 0 ] [ 0.651072 0 0.496615 ] [ 0.348928 0 0.503385 ] [ 0.5 0.5 0.5 ] [ 0.713493 0 0.948014 ] [ 0.786507 0.5 0.051986 ] [ 0.5 0.5 0 ] [ 0.151072 0.5 0.496615 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "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" 10.3281866016 "source-unit" "angstrom" } "b" { "source-value" 3.40951589 "source-unit" "angstrom" } "c" { "source-value" 8.04634267893 "source-unit" "angstrom" } "beta" { "source-value" 127.884553053 "source-unit" "degree" } }