{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.727231 0 ] [ 0 0.272769 0 ] [ 0.5 0.227231 0 ] [ 0.5 0.772769 0 ] [ 0.773128 0 0 ] [ 0.226872 0 0 ] [ 0 0 0.5 ] [ 0.273128 0.5 0 ] [ 0.726872 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.613054 0 0.5 ] [ 0.386946 0 0.5 ] [ 0.760385 0.150168 0.5 ] [ 0.239615 0.849832 0.5 ] [ 0.760385 0.849832 0.5 ] [ 0.239615 0.150168 0.5 ] [ 0.113054 0.5 0.5 ] [ 0.886946 0.5 0.5 ] [ 0.260385 0.650168 0.5 ] [ 0.739615 0.349832 0.5 ] [ 0.260385 0.349832 0.5 ] [ 0.739615 0.650168 0.5 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.67993573782 "source-unit" "angstrom" } "b" { "source-value" 8.57473916264 "source-unit" "angstrom" } "c" { "source-value" 3.47112364 "source-unit" "angstrom" } }