{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.221081 0.5 0.651353 ] [ 0.778919 0.5 0.348647 ] [ 0.721081 0 0.651353 ] [ 0.278919 0 0.348647 ] [ 0 0 0.5 ] [ 0 0.73972 0 ] [ 0 0.26028 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.23972 0 ] [ 0.5 0.76028 0 ] [ 0.894486 0 0.0861 ] [ 0.114107 0.774168 0.402548 ] [ 0.114107 0.225832 0.402548 ] [ 0.108862 0.5 0.935444 ] [ 0.891138 0.5 0.064556 ] [ 0.885893 0.774168 0.597452 ] [ 0.885893 0.225832 0.597452 ] [ 0.105514 0 0.9139 ] [ 0.394486 0.5 0.0861 ] [ 0.614107 0.274168 0.402548 ] [ 0.614107 0.725832 0.402548 ] [ 0.608862 0 0.935444 ] [ 0.391138 0 0.064556 ] [ 0.385893 0.274168 0.597452 ] [ 0.385893 0.725832 0.597452 ] [ 0.605514 0.5 0.9139 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mn" "Mn" "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" 10.29963018 "source-unit" "angstrom" } "b" { "source-value" 5.79510346 "source-unit" "angstrom" } "c" { "source-value" 4.8902292 "source-unit" "angstrom" } "beta" { "source-value" 110.23341233 "source-unit" "degree" } }