{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmmn" } "basis-atom-coordinates" { "source-value" [ [ 0.668135 0.148951 0 ] [ 0.331865 0.148951 0 ] [ 0.168135 0.851049 0.5 ] [ 0.831865 0.851049 0.5 ] [ 0.360296 0.86805 0 ] [ 0.639704 0.86805 0 ] [ 0.139704 0.13195 0.5 ] [ 0.860296 0.13195 0.5 ] [ 0.5 0.030165 0 ] [ 0 0.969835 0.5 ] [ 0 0.507445 0 ] [ 0.5 0.492555 0.5 ] [ 0 0.269736 0 ] [ 0.5 0.730264 0.5 ] [ 0.224383 0.616666 0 ] [ 0.775617 0.616666 0 ] [ 0.275617 0.383334 0.5 ] [ 0.724383 0.383334 0.5 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" "N" "N" "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" 4.96835987 "source-unit" "angstrom" } "b" { "source-value" 5.36556128 "source-unit" "angstrom" } "c" { "source-value" 5.9359029 "source-unit" "angstrom" } }