{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.268901 0.680218 0.013221 ] [ 0.231099 0.180218 0.486779 ] [ 0.768901 0.819782 0.513221 ] [ 0.731099 0.319782 0.986779 ] [ 0.712202 0.225225 0.270187 ] [ 0.787798 0.725225 0.229813 ] [ 0.287798 0.774775 0.729813 ] [ 0.212202 0.274775 0.770187 ] [ 0.695974 0.173918 0.805334 ] [ 0.804026 0.673918 0.694666 ] [ 0.224549 0.086802 0.189515 ] [ 0.275451 0.586802 0.310485 ] [ 0.775451 0.913198 0.810485 ] [ 0.724549 0.413198 0.689515 ] [ 0.265491 0.031744 0.670049 ] [ 0.234509 0.531744 0.829951 ] [ 0.734509 0.968256 0.329951 ] [ 0.765491 0.468256 0.170049 ] [ 0.195974 0.326082 0.305334 ] [ 0.304026 0.826082 0.194666 ] ] } "species" { "source-value" [ "Ag" "Ag" "Au" "Au" "Au" "Au" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.5411868523 "source-unit" "angstrom" } "b" { "source-value" 11.3846381 "source-unit" "angstrom" } "c" { "source-value" 5.67209453019 "source-unit" "angstrom" } "beta" { "source-value" 93.8838985762 "source-unit" "degree" } }