{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.106472 0.545098 ] [ 0.5 0.893528 0.045098 ] [ 0 0.926409 0.410632 ] [ 0 0.073591 0.910632 ] [ 0 0.606472 0.545098 ] [ 0 0.393528 0.045098 ] [ 0.5 0.426409 0.410632 ] [ 0.5 0.573591 0.910632 ] [ 0 0.792093 0.826966 ] [ 0 0.207907 0.326966 ] [ 0.5 0.292093 0.826966 ] [ 0.5 0.707907 0.326966 ] [ 0.5 0.801437 0.607858 ] [ 0.5 0.198563 0.107858 ] [ 0 0.301437 0.607858 ] [ 0 0.698563 0.107858 ] [ 0.265896 0.163508 0.210721 ] [ 0.734104 0.836492 0.710721 ] [ 0.5 0.13941 0.919121 ] [ 0.5 0.86059 0.419121 ] [ 0.734104 0.163508 0.210721 ] [ 0.265896 0.836492 0.710721 ] [ 0 0.164778 0.560983 ] [ 0 0.835222 0.060983 ] [ 0.765896 0.663508 0.210721 ] [ 0.234104 0.336492 0.710721 ] [ 0 0.63941 0.919121 ] [ 0 0.36059 0.419121 ] [ 0.234104 0.663508 0.210721 ] [ 0.765896 0.336492 0.710721 ] [ 0.5 0.664778 0.560983 ] [ 0.5 0.335222 0.060983 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Li" "Li" "Li" "Li" "Mn" "Mn" "Mn" "Mn" "O" "O" "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" 6.08039036 "source-unit" "angstrom" } "b" { "source-value" 12.39209794 "source-unit" "angstrom" } "c" { "source-value" 8.31034264 "source-unit" "angstrom" } }