{ "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" [ [ 0.25 0.75 0 ] [ 0.75 0.75 0 ] [ 0.75 0.25 0 ] [ 0.25 0.25 0 ] [ 0.666581 0 0.344398 ] [ 0.333419 0 0.655602 ] [ 0.166581 0.5 0.344398 ] [ 0.833419 0.5 0.655602 ] [ 0.239338 0.195328 0.720035 ] [ 0.239338 0.804672 0.720035 ] [ 0.610808 0 0.865285 ] [ 0.760662 0.804672 0.279965 ] [ 0.389192 0 0.134715 ] [ 0.760662 0.195328 0.279965 ] [ 0.739338 0.695328 0.720035 ] [ 0.739338 0.304672 0.720035 ] [ 0.110808 0.5 0.865285 ] [ 0.260662 0.304672 0.279965 ] [ 0.889192 0.5 0.134715 ] [ 0.260662 0.695328 0.279965 ] ] } "species" { "source-value" [ "Pd" "Pd" "Pd" "Pd" "Se" "Se" "Se" "Se" "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" 7.23584023183 "source-unit" "angstrom" } "b" { "source-value" 7.12568978624 "source-unit" "angstrom" } "c" { "source-value" 7.26816612471 "source-unit" "angstrom" } "beta" { "source-value" 119.179542007 "source-unit" "degree" } }