{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.75134 0.75 ] [ 0 0.24866 0.25 ] [ 0.5 0.25134 0.75 ] [ 0.5 0.74866 0.25 ] [ 0 0.894061 0.25 ] [ 0 0.105939 0.75 ] [ 0.5 0.850309 0.570141 ] [ 0.5 0.149691 0.429859 ] [ 0.5 0.850309 0.929859 ] [ 0.5 0.149691 0.070141 ] [ 0.5 0.394061 0.25 ] [ 0.5 0.605939 0.75 ] [ 0 0.350309 0.570141 ] [ 0 0.649691 0.429859 ] [ 0 0.350309 0.929859 ] [ 0 0.649691 0.070141 ] ] } "species" { "source-value" [ "Yb" "Yb" "Yb" "Yb" "Ce" "Ce" "Ce" "Ce" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.03570666 "source-unit" "angstrom" } "b" { "source-value" 13.8743015 "source-unit" "angstrom" } "c" { "source-value" 9.66127968 "source-unit" "angstrom" } }