{ "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 0.71918 0 ] [ 0 0.28082 0 ] [ 0.5 0.21918 0 ] [ 0.5 0.78082 0 ] [ 0.262529 0.744407 0.242182 ] [ 0.737471 0.744407 0.757818 ] [ 0.978396 0 0.812609 ] [ 0.021604 0 0.187391 ] [ 0.025027 0.5 0.216648 ] [ 0.974973 0.5 0.783352 ] [ 0.262529 0.255593 0.242182 ] [ 0.737471 0.255593 0.757818 ] [ 0.762529 0.244407 0.242182 ] [ 0.237471 0.244407 0.757818 ] [ 0.478396 0.5 0.812609 ] [ 0.521604 0.5 0.187391 ] [ 0.525027 0 0.216648 ] [ 0.474973 0 0.783352 ] [ 0.762529 0.755593 0.242182 ] [ 0.237471 0.755593 0.757818 ] ] } "species" { "source-value" [ "Ta" "Ta" "Ta" "Ta" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.4567267211 "source-unit" "angstrom" } "b" { "source-value" 6.83568110915 "source-unit" "angstrom" } "c" { "source-value" 10.0165316574 "source-unit" "angstrom" } "beta" { "source-value" 139.5308832 "source-unit" "degree" } }