{ "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" [ [ 0.940365 0.5 0.319264 ] [ 0.059635 0.5 0.680736 ] [ 0.203405 0 0.01601 ] [ 0.796595 0 0.98399 ] [ 0.440365 0 0.319264 ] [ 0.559635 0 0.680736 ] [ 0.703405 0.5 0.01601 ] [ 0.296595 0.5 0.98399 ] [ 0.069343 0 0.664908 ] [ 0.930657 0 0.335092 ] [ 0 0 0 ] [ 0.569343 0.5 0.664908 ] [ 0.430657 0.5 0.335092 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 12.7520257103 "source-unit" "angstrom" } "b" { "source-value" 5.39373282 "source-unit" "angstrom" } "c" { "source-value" 7.01574101253 "source-unit" "angstrom" } "beta" { "source-value" 99.50640392 "source-unit" "degree" } }