{ "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" [ [ 0.78336 0.5 0.15148 ] [ 0.21664 0.5 0.84852 ] [ 0.28336 0 0.15148 ] [ 0.71664 0 0.84852 ] [ 0.134926 0.5 0.265034 ] [ 0.865074 0.5 0.734966 ] [ 0.634926 0 0.265034 ] [ 0.365074 0 0.734966 ] [ 0.983851 0 0.351359 ] [ 0.016149 0 0.648641 ] [ 0.483851 0.5 0.351359 ] [ 0.516149 0.5 0.648641 ] [ 0.174886 0.708799 0.124947 ] [ 0.174886 0.291201 0.124947 ] [ 0.98175 0.5 0.253739 ] [ 0.782396 0.5 0.482547 ] [ 0.217604 0.5 0.517453 ] [ 0.01825 0.5 0.746261 ] [ 0.825114 0.708799 0.875053 ] [ 0.825114 0.291201 0.875053 ] [ 0.674886 0.208799 0.124947 ] [ 0.674886 0.791201 0.124947 ] [ 0.48175 0 0.253739 ] [ 0.282396 0 0.482547 ] [ 0.717604 0 0.517453 ] [ 0.51825 0 0.746261 ] [ 0.325114 0.208799 0.875053 ] [ 0.325114 0.791201 0.875053 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Mo" "Mo" "Mo" "Mo" "Cl" "Cl" "Cl" "Cl" "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" 11.73882954 "source-unit" "angstrom" } "b" { "source-value" 6.66875102 "source-unit" "angstrom" } "c" { "source-value" 6.87106913 "source-unit" "angstrom" } "beta" { "source-value" 103.95530238 "source-unit" "degree" } }