{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.804593 0.304593 0 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.195407 0.695407 0 ] [ 0.304593 0.195407 0 ] [ 0.695407 0.804593 0 ] [ 0.304593 0.804593 0.5 ] [ 0.5 0.5 0.25 ] [ 0 0 0.25 ] [ 0.695407 0.195407 0.5 ] [ 0.804593 0.695407 0.5 ] [ 0.195407 0.304593 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ge" "Ge" "Ge" "Ge" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.29353700846 "source-unit" "angstrom" } "c" { "source-value" 7.83354427493 "source-unit" "angstrom" } }