{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.906365 0.747949 ] [ 0 0.093635 0.252051 ] [ 0 0.093635 0.747949 ] [ 0 0.906365 0.252051 ] [ 0.5 0.140595 0.5 ] [ 0.5 0.859405 0.5 ] [ 0.5 0.406365 0.747949 ] [ 0.5 0.593635 0.252051 ] [ 0.5 0.593635 0.747949 ] [ 0.5 0.406365 0.252051 ] [ 0 0.640595 0.5 ] [ 0 0.359405 0.5 ] [ 0.25 0.75 0.252073 ] [ 0.75 0.75 0.252073 ] [ 0.25 0.75 0.747927 ] [ 0.75 0.75 0.747927 ] [ 0.5 0 0.751388 ] [ 0.5 0 0.248612 ] [ 0.75 0.25 0.252073 ] [ 0.25 0.25 0.252073 ] [ 0.75 0.25 0.747927 ] [ 0.25 0.25 0.747927 ] [ 0 0.5 0.751388 ] [ 0 0.5 0.248612 ] [ 0 0.797303 0.5 ] [ 0 0.202697 0.5 ] [ 0.5 0.861844 0.844588 ] [ 0.5 0.861844 0.155412 ] [ 0.5 0.138156 0.844588 ] [ 0.5 0.138156 0.155412 ] [ 0.245707 0 0 ] [ 0.754293 0 0 ] [ 0.246357 0 0.5 ] [ 0.753643 0 0.5 ] [ 0 0.789084 0 ] [ 0 0.210916 0 ] [ 0.5 0.297303 0.5 ] [ 0.5 0.702697 0.5 ] [ 0 0.361844 0.844588 ] [ 0 0.361844 0.155412 ] [ 0 0.638156 0.844588 ] [ 0 0.638156 0.155412 ] [ 0.745707 0.5 0 ] [ 0.254293 0.5 0 ] [ 0.746357 0.5 0.5 ] [ 0.253643 0.5 0.5 ] [ 0.5 0.289084 0 ] [ 0.5 0.710916 0 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.3959036755 "source-unit" "angstrom" } "b" { "source-value" 18.3638676679 "source-unit" "angstrom" } "c" { "source-value" 8.19764233 "source-unit" "angstrom" } }