{ "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" [ [ 0.270267 0.346589 0.581462 ] [ 0.229733 0.846589 0.918538 ] [ 0.729733 0.653411 0.418538 ] [ 0.770267 0.153411 0.081462 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.212051 0.341515 0.93428 ] [ 0.306792 0.00185 0.299618 ] [ 0.193208 0.50185 0.200382 ] [ 0.712051 0.158485 0.43428 ] [ 0.693208 0.99815 0.700382 ] [ 0.787949 0.658485 0.06572 ] [ 0.287949 0.841515 0.56572 ] [ 0.806792 0.49815 0.799618 ] [ 0.196761 0.9936 0.181355 ] [ 0.324787 0.23837 0.89355 ] [ 0.696761 0.5064 0.681355 ] [ 0.175213 0.73837 0.60645 ] [ 0.803239 0.0064 0.818645 ] [ 0.824787 0.26163 0.39355 ] [ 0.675213 0.76163 0.10645 ] [ 0.303239 0.4936 0.318645 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Pt" "Pt" "C" "C" "C" "C" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.33339542838 "source-unit" "angstrom" } "b" { "source-value" 7.39777203 "source-unit" "angstrom" } "c" { "source-value" 9.60030440121 "source-unit" "angstrom" } "beta" { "source-value" 104.898167382 "source-unit" "degree" } }