{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.838845 0 ] [ 0 0.002615 0 ] [ 0 0.338845 0 ] [ 0.5 0.502615 0 ] [ 0 0.781507 0.5 ] [ 0.5 0.281507 0.5 ] [ 0.5 0.224416 0 ] [ 0 0.223555 0.5 ] [ 0 0.106249 0.5 ] [ 0.5 0.10759 0 ] [ 0.5 0.964295 0.5 ] [ 0 0.888927 0.5 ] [ 0 0.724416 0 ] [ 0.5 0.723555 0.5 ] [ 0.5 0.606249 0.5 ] [ 0 0.60759 0 ] [ 0 0.464295 0.5 ] [ 0.5 0.388927 0.5 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ni" "Ni" "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" 3.98808981324 "source-unit" "angstrom" } "b" { "source-value" 21.4365136583 "source-unit" "angstrom" } "c" { "source-value" 4.05492452 "source-unit" "angstrom" } }