{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.340346 0 0.643732 ] [ 0.659654 0 0.356268 ] [ 0 0.751603 0 ] [ 0 0.248397 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.747526 0 0.754619 ] [ 0.252474 0 0.245381 ] [ 0.739545 0.5 0.783809 ] [ 0.260455 0.5 0.216191 ] [ 0.21642 0.7315 0.769917 ] [ 0.78358 0.7315 0.230083 ] [ 0.78358 0.2685 0.230083 ] [ 0.21642 0.2685 0.769917 ] ] } "species" { "source-value" [ "Cu" "Cu" "Pt" "Pt" "Pt" "Pt" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.27953432738 "source-unit" "angstrom" } "b" { "source-value" 6.99459703 "source-unit" "angstrom" } "c" { "source-value" 6.45463828829 "source-unit" "angstrom" } "beta" { "source-value" 115.216086102 "source-unit" "degree" } }