{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.176565 ] [ 0.5 0.5 0.823435 ] [ 0 0 0.676565 ] [ 0 0 0.323435 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.12295 ] [ 0 0 0.87705 ] [ 0.5 0.5 0.62295 ] [ 0.5 0.5 0.37705 ] ] } "species" { "source-value" [ "Nd" "Nd" "Nd" "Nd" "Sc" "Sc" "Sc" "Sc" "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" 4.3258015141 "source-unit" "angstrom" } "c" { "source-value" 16.0231175457 "source-unit" "angstrom" } }