{ "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 0.837418 0.25 ] [ 0 0.162582 0.75 ] [ 0.5 0.450434 0.25 ] [ 0.5 0.549566 0.75 ] [ 0.071861 0.343412 0.09138 ] [ 0.928139 0.343412 0.40862 ] [ 0.071861 0.656588 0.59138 ] [ 0.928139 0.656588 0.90862 ] [ 0.70631 0.315421 0.013394 ] [ 0.29369 0.315421 0.486606 ] [ 0.70631 0.684579 0.513394 ] [ 0.29369 0.684579 0.986606 ] [ 0.5 0.054346 0.25 ] [ 0.5 0.945654 0.75 ] [ 0.967813 0.218924 0.078319 ] [ 0.683871 0.520994 0.114391 ] [ 0.242093 0.547717 0.115669 ] [ 0.757907 0.547717 0.384331 ] [ 0.316129 0.520994 0.385609 ] [ 0.032187 0.218924 0.421681 ] [ 0.967813 0.781076 0.578319 ] [ 0.683871 0.479006 0.614391 ] [ 0.242093 0.452283 0.615669 ] [ 0.757907 0.452283 0.884331 ] [ 0.316129 0.479006 0.885609 ] [ 0.032187 0.781076 0.921681 ] ] } "species" { "source-value" [ "Rb" "Rb" "Zn" "Zn" "H" "H" "H" "H" "Se" "Se" "Se" "Se" "Br" "Br" "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" 6.56593028 "source-unit" "angstrom" } "b" { "source-value" 6.2399464 "source-unit" "angstrom" } "c" { "source-value" 10.95020075 "source-unit" "angstrom" } "beta" { "source-value" 102.83783104 "source-unit" "degree" } }