{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.004713 0 0.000839 ] [ 0.168415 0.5 0.020226 ] [ 0.504713 0.5 0.000839 ] [ 0.668415 0 0.020226 ] [ 0.010807 0.5 0.307497 ] [ 0.155051 0 0.671369 ] [ 0.180011 0 0.31837 ] [ 0.820844 0 0.687212 ] [ 0.829809 0.5 0.988623 ] [ 0.842789 0 0.326991 ] [ 0.987452 0.5 0.68475 ] [ 0.510807 0 0.307497 ] [ 0.655051 0.5 0.671369 ] [ 0.680011 0.5 0.31837 ] [ 0.320844 0.5 0.687212 ] [ 0.329809 0 0.988623 ] [ 0.342789 0.5 0.326991 ] [ 0.487452 0 0.68475 ] [ 0.042287 0.5 0.906286 ] [ 0.050124 0 0.672389 ] [ 0.065524 0 0.262239 ] [ 0.200577 0 0.899916 ] [ 0.166896 0.5 0.586889 ] [ 0.210691 0.5 0.259061 ] [ 0.132585 0 0.088555 ] [ 0.866686 0 0.914805 ] [ 0.78925 0.5 0.74834 ] [ 0.789221 0 0.101798 ] [ 0.936225 0 0.747093 ] [ 0.836822 0.5 0.418102 ] [ 0.94256 0 0.303594 ] [ 0.97065 0.5 0.085055 ] [ 0.542287 0 0.906286 ] [ 0.550124 0.5 0.672389 ] [ 0.565524 0.5 0.262239 ] [ 0.700577 0.5 0.899916 ] [ 0.666896 0 0.586889 ] [ 0.710691 0 0.259061 ] [ 0.632585 0.5 0.088555 ] [ 0.366686 0.5 0.914805 ] [ 0.28925 0 0.74834 ] [ 0.289221 0.5 0.101798 ] [ 0.436225 0.5 0.747093 ] [ 0.336822 0 0.418102 ] [ 0.44256 0.5 0.303594 ] [ 0.47065 0 0.085055 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "O" "O" "O" "O" "O" "O" "O" "O" "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" 20.80618997 "source-unit" "angstrom" } "b" { "source-value" 3.91907595 "source-unit" "angstrom" } "c" { "source-value" 10.50346411 "source-unit" "angstrom" } "beta" { "source-value" 114.84631908 "source-unit" "degree" } }