{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.108114 0.6565 0.44928 ] [ 0.891886 0.6565 0.05072 ] [ 0.891886 0.3435 0.55072 ] [ 0.108114 0.3435 0.94928 ] [ 0.608114 0.1565 0.44928 ] [ 0.391886 0.1565 0.05072 ] [ 0.391886 0.8435 0.55072 ] [ 0.608114 0.8435 0.94928 ] [ 0.821636 0.144567 0.926998 ] [ 0.178364 0.144567 0.573002 ] [ 0.178364 0.855433 0.073002 ] [ 0.821636 0.855433 0.426998 ] [ 0 0.863532 0.75 ] [ 0 0.136468 0.25 ] [ 0.321636 0.644567 0.926998 ] [ 0.678364 0.644567 0.573002 ] [ 0.678364 0.355433 0.073002 ] [ 0.321636 0.355433 0.426998 ] [ 0.5 0.363532 0.75 ] [ 0.5 0.636468 0.25 ] ] } "species" { "source-value" [ "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Tl" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.3772427374 "source-unit" "angstrom" } "b" { "source-value" 6.66002404 "source-unit" "angstrom" } "c" { "source-value" 8.18005658467 "source-unit" "angstrom" } "beta" { "source-value" 105.507143232 "source-unit" "degree" } }