{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.75192 0.917574 0.00333 ] [ 0.25192 0.582426 0.50333 ] [ 0.25192 0.417574 0.00333 ] [ 0.75192 0.082426 0.50333 ] [ 0.253557 0.913107 0.501009 ] [ 0.753557 0.586893 0.001009 ] [ 0.753557 0.413107 0.501009 ] [ 0.253557 0.086893 0.001009 ] [ 0.154173 0.938771 0.117636 ] [ 0.654173 0.561229 0.617636 ] [ 0.65835 0.730169 0.124783 ] [ 0.343605 0.767395 0.378643 ] [ 0.15835 0.769831 0.624783 ] [ 0.595043 0.905464 0.612942 ] [ 0.095043 0.594536 0.112942 ] [ 0.857422 0.557873 0.382312 ] [ 0.843605 0.732605 0.878643 ] [ 0.415929 0.584703 0.884745 ] [ 0.915929 0.915297 0.384745 ] [ 0.357422 0.942127 0.882312 ] [ 0.654173 0.438771 0.117636 ] [ 0.154173 0.061229 0.617636 ] [ 0.15835 0.230169 0.124783 ] [ 0.843605 0.267395 0.378643 ] [ 0.65835 0.269831 0.624783 ] [ 0.095043 0.405464 0.612942 ] [ 0.595043 0.094536 0.112942 ] [ 0.357422 0.057873 0.382312 ] [ 0.343605 0.232605 0.878643 ] [ 0.915929 0.084703 0.884745 ] [ 0.415929 0.415297 0.384745 ] [ 0.857422 0.442127 0.882312 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "U" "U" "U" "U" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" "I" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.35887478171 "source-unit" "angstrom" } "b" { "source-value" 14.5853806244 "source-unit" "angstrom" } "c" { "source-value" 15.3544934491 "source-unit" "angstrom" } "beta" { "source-value" 101.268963318 "source-unit" "degree" } }