{ "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" [ [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.229535 0.68624 0.97001 ] [ 0.770465 0.18624 0.52999 ] [ 0.229535 0.81376 0.47001 ] [ 0.770465 0.31376 0.02999 ] [ 0.972954 0.469718 0.195496 ] [ 0.027046 0.969718 0.304504 ] [ 0.027046 0.530282 0.804504 ] [ 0.972954 0.030282 0.695496 ] [ 0.538392 0.900339 0.779409 ] [ 0.461608 0.400339 0.720591 ] [ 0.428511 0.843784 0.132628 ] [ 0.571489 0.343784 0.367372 ] [ 0.571489 0.156216 0.867372 ] [ 0.428511 0.656216 0.632628 ] [ 0.054778 0.271968 0.829704 ] [ 0.945222 0.771968 0.670296 ] [ 0.945222 0.728032 0.170296 ] [ 0.054778 0.228032 0.329704 ] [ 0.538392 0.599661 0.279409 ] [ 0.461608 0.099661 0.220591 ] ] } "species" { "source-value" [ "Pd" "Pd" "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" 5.51018881 "source-unit" "angstrom" } "b" { "source-value" 11.15189091 "source-unit" "angstrom" } "c" { "source-value" 7.74860441 "source-unit" "angstrom" } "beta" { "source-value" 132.98384161 "source-unit" "degree" } }