{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.389553 0.5 ] [ 0.75 0.610447 0.5 ] [ 0.375034 0.003387 0.16679 ] [ 0.624966 0.996613 0.83321 ] [ 0.875034 0.996613 0.16679 ] [ 0.124966 0.003387 0.83321 ] [ 0.5 0.5 0 ] [ 0 0.5 0 ] [ 0.021594 0.321767 0.798991 ] [ 0.388604 0.158279 0.889302 ] [ 0.888604 0.841721 0.889302 ] [ 0.620227 0.123193 0.657298 ] [ 0.111396 0.158279 0.110698 ] [ 0.478406 0.321767 0.201009 ] [ 0.978406 0.678233 0.201009 ] [ 0.521594 0.678233 0.798991 ] [ 0.379773 0.876807 0.342702 ] [ 0.611396 0.841721 0.110698 ] [ 0.879773 0.123193 0.342702 ] [ 0.120227 0.876807 0.657298 ] [ 0.75 0.283442 0 ] [ 0.25 0.716558 0 ] ] } "species" { "source-value" [ "Rb" "Rb" "V" "V" "V" "V" "Cr" "Cr" "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" 6.98556987654 "source-unit" "angstrom" } "b" { "source-value" 4.95567085 "source-unit" "angstrom" } "c" { "source-value" 8.67038625335 "source-unit" "angstrom" } "beta" { "source-value" 101.245434233 "source-unit" "degree" } }