{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.999865 0 0.998982 ] [ 0.499865 0.5 0.998982 ] [ 0.056809 0.295113 0.159889 ] [ 0.056809 0.704887 0.159889 ] [ 0.05406 0.703209 0.864564 ] [ 0.05406 0.296791 0.864564 ] [ 0.886756 0.7025 0.972615 ] [ 0.886756 0.2975 0.972615 ] [ 0.556809 0.795113 0.159889 ] [ 0.556809 0.204887 0.159889 ] [ 0.55406 0.203209 0.864564 ] [ 0.55406 0.796791 0.864564 ] [ 0.386756 0.2025 0.972615 ] [ 0.386756 0.7975 0.972615 ] [ 0.804819 0 0.391984 ] [ 0.196683 0 0.609334 ] [ 0.304819 0.5 0.391984 ] [ 0.696683 0.5 0.609334 ] [ 0.27633 0 0.372723 ] [ 0.722922 0 0.629213 ] [ 0.77633 0.5 0.372723 ] [ 0.222922 0.5 0.629213 ] [ 0.998993 0.749495 0.998879 ] [ 0.863018 0 0.21651 ] [ 0.143126 0 0.791362 ] [ 0.998993 0.250505 0.998879 ] [ 0.498993 0.249495 0.998879 ] [ 0.363018 0.5 0.21651 ] [ 0.643126 0.5 0.791362 ] [ 0.498993 0.750505 0.998879 ] ] } "species" { "source-value" [ "Ni" "Ni" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.64415224 "source-unit" "angstrom" } "b" { "source-value" 7.77443807 "source-unit" "angstrom" } "c" { "source-value" 5.66507484 "source-unit" "angstrom" } "beta" { "source-value" 99.32192637 "source-unit" "degree" } }