{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.637086 0.25 ] [ 0 0.862914 0.75 ] [ 0 0.137086 0.25 ] [ 0.5 0.362914 0.75 ] [ 0 0.596506 0.25 ] [ 0.5 0.903494 0.75 ] [ 0.5 0.096506 0.25 ] [ 0 0.403494 0.75 ] [ 0.148766 0.699863 0.177232 ] [ 0.291904 0.967419 0.320931 ] [ 0.208096 0.532581 0.679069 ] [ 0.851234 0.699863 0.322768 ] [ 0.791904 0.532581 0.820931 ] [ 0.351234 0.800137 0.822768 ] [ 0.648766 0.800137 0.677232 ] [ 0.708096 0.967419 0.179069 ] [ 0.648766 0.199863 0.177232 ] [ 0.791904 0.467419 0.320931 ] [ 0.708096 0.032581 0.679069 ] [ 0.351234 0.199863 0.322768 ] [ 0.291904 0.032581 0.820931 ] [ 0.851234 0.300137 0.822768 ] [ 0.148766 0.300137 0.677232 ] [ 0.208096 0.467419 0.179069 ] ] } "species" { "source-value" [ "Pb" "Pb" "Pb" "Pb" "W" "W" "W" "W" "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" 7.44870625135 "source-unit" "angstrom" } "b" { "source-value" 11.7537169439 "source-unit" "angstrom" } "c" { "source-value" 5.13355046722 "source-unit" "angstrom" } "beta" { "source-value" 127.146275255 "source-unit" "degree" } }