{ "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 0.95466 0.25 ] [ 0 0.04534 0.75 ] [ 0.5 0.82959 0.596805 ] [ 0.5 0.17041 0.403195 ] [ 0.5 0.17041 0.096805 ] [ 0.5 0.82959 0.903195 ] [ 0.5 0.45466 0.25 ] [ 0.5 0.54534 0.75 ] [ 0 0.32959 0.596805 ] [ 0 0.67041 0.403195 ] [ 0 0.67041 0.096805 ] [ 0 0.32959 0.903195 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0 0.225697 0.25 ] [ 0 0.774303 0.75 ] [ 0.5 0.880937 0.391596 ] [ 0.5 0.119063 0.608404 ] [ 0.5 0.880937 0.108404 ] [ 0.5 0.119063 0.891596 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.725697 0.25 ] [ 0.5 0.274303 0.75 ] [ 0 0.380937 0.391596 ] [ 0 0.619063 0.608404 ] [ 0 0.380937 0.108404 ] [ 0 0.619063 0.891596 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "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" 4.05368417 "source-unit" "angstrom" } "b" { "source-value" 10.66114288 "source-unit" "angstrom" } "c" { "source-value" 14.26424546 "source-unit" "angstrom" } }