{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.198632 0.198632 0.334465 ] [ 0.801368 0.801368 0.334465 ] [ 0.698632 0.301368 0.165535 ] [ 0.301368 0.698632 0.165535 ] [ 0.698632 0.698632 0.834465 ] [ 0.301368 0.301368 0.834465 ] [ 0.198632 0.801368 0.665535 ] [ 0.801368 0.198632 0.665535 ] ] } "species" { "source-value" [ "Eu" "Eu" "Li" "Li" "Li" "Li" "Ge" "Ge" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.57226760785 "source-unit" "angstrom" } "c" { "source-value" 7.72017144263 "source-unit" "angstrom" } }