{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.846842 0.272025 ] [ 0.5 0.153158 0.772025 ] [ 0 0.346842 0.272025 ] [ 0 0.653158 0.772025 ] [ 0 0.228771 0.460915 ] [ 0 0.771229 0.960915 ] [ 0.5 0.728771 0.460915 ] [ 0.5 0.271229 0.960915 ] [ 0.5 0.774705 0.698329 ] [ 0.5 0.878323 0.000952 ] [ 0.5 0.225295 0.198329 ] [ 0 0.977799 0.241068 ] [ 0 0.103544 0.958871 ] [ 0 0.896456 0.458871 ] [ 0 0.022201 0.741068 ] [ 0.5 0.121677 0.500952 ] [ 0 0.274705 0.698329 ] [ 0 0.378323 0.000952 ] [ 0 0.725295 0.198329 ] [ 0.5 0.477799 0.241068 ] [ 0.5 0.603544 0.958871 ] [ 0.5 0.396456 0.458871 ] [ 0.5 0.522201 0.741068 ] [ 0 0.621677 0.500952 ] ] } "species" { "source-value" [ "Hf" "Hf" "Hf" "Hf" "Ge" "Ge" "Ge" "Ge" "Te" "Te" "Te" "Te" "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" 4.01900748 "source-unit" "angstrom" } "b" { "source-value" 16.57377188 "source-unit" "angstrom" } "c" { "source-value" 11.1087669 "source-unit" "angstrom" } }