{ "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 0 0 ] [ 0.521788 0.928311 0.746177 ] [ 0.978212 0.428311 0.753823 ] [ 0.021788 0.571689 0.246177 ] [ 0.478212 0.071689 0.253823 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.162743 0.281601 0.428668 ] [ 0.337257 0.781601 0.071332 ] [ 0.837257 0.718399 0.571332 ] [ 0.662743 0.218399 0.928668 ] [ 0.876213 0.947054 0.270013 ] [ 0.623787 0.447054 0.229987 ] [ 0.123787 0.052946 0.729987 ] [ 0.376213 0.552946 0.770013 ] [ 0.793315 0.672928 0.94691 ] [ 0.706685 0.172928 0.55309 ] [ 0.206685 0.327072 0.05309 ] [ 0.293315 0.827072 0.44691 ] ] } "species" { "source-value" [ "Na" "Na" "Nd" "Nd" "Nd" "Nd" "Os" "Os" "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" 5.57089924168 "source-unit" "angstrom" } "b" { "source-value" 5.98701323 "source-unit" "angstrom" } "c" { "source-value" 8.04886108849 "source-unit" "angstrom" } "beta" { "source-value" 91.0337917793 "source-unit" "degree" } }