{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.917333 0.309311 ] [ 0.5 0.704494 0.809344 ] [ 0 0.917333 0.690689 ] [ 0 0.631432 0 ] [ 0.5 0.704494 0.190656 ] [ 0 0.417333 0.809311 ] [ 0.5 0.204494 0.309344 ] [ 0 0.417333 0.190689 ] [ 0 0.131432 0.5 ] [ 0.5 0.204494 0.690656 ] [ 0.5 0.237636 0.900132 ] [ 0.5 0.995013 0.152317 ] [ 0 0.28403 0 ] [ 0 0.132388 0.155076 ] [ 0.5 0.237636 0.099868 ] [ 0.5 0.42983 0 ] [ 0 0.890728 0.904117 ] [ 0.5 0.83694 0 ] [ 0.5 0.995013 0.847683 ] [ 0 0.132388 0.844924 ] [ 0 0.890728 0.095883 ] [ 0.5 0.737636 0.400132 ] [ 0.5 0.495013 0.652317 ] [ 0 0.78403 0.5 ] [ 0 0.632388 0.655076 ] [ 0.5 0.737636 0.599868 ] [ 0.5 0.92983 0.5 ] [ 0 0.390728 0.404117 ] [ 0.5 0.33694 0.5 ] [ 0.5 0.495013 0.347683 ] [ 0 0.632388 0.344924 ] [ 0 0.390728 0.595883 ] [ 0.250136 0.062742 0 ] [ 0.749864 0.062742 0 ] [ 0.250136 0.562742 0.5 ] [ 0.749864 0.562742 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Cd" "Cd" "Cd" "Cd" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.89596059 "source-unit" "angstrom" } "b" { "source-value" 13.61374802 "source-unit" "angstrom" } "c" { "source-value" 18.5839164 "source-unit" "angstrom" } }