{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.248422 0.740495 0.749384 ] [ 0.248422 0.259505 0.249384 ] [ 0.766086 0.204445 0.747956 ] [ 0.766086 0.795555 0.247956 ] [ 0.50257 0.258694 0.999376 ] [ 0.50257 0.741306 0.499376 ] [ 0.000736 0.255901 0.500101 ] [ 0.000736 0.744099 0.000101 ] [ 0.70727 0.215974 0.255032 ] [ 0.797555 0.994551 0.038735 ] [ 0.213917 0.008309 0.467833 ] [ 0.213917 0.991691 0.967833 ] [ 0.797555 0.005449 0.538735 ] [ 0.70727 0.784026 0.755032 ] [ 0.34325 0.739214 0.242108 ] [ 0.151867 0.532967 0.450956 ] [ 0.768326 0.542251 0.04852 ] [ 0.768326 0.457749 0.54852 ] [ 0.151867 0.467033 0.950956 ] [ 0.34325 0.260786 0.742108 ] ] } "species" { "source-value" [ "Ba" "Ba" "Nd" "Nd" "Ni" "Ni" "Sb" "Sb" "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" 5.72556886 "source-unit" "angstrom" } "b" { "source-value" 5.78868134 "source-unit" "angstrom" } "c" { "source-value" 9.87265931 "source-unit" "angstrom" } "beta" { "source-value" 125.41217773 "source-unit" "degree" } }