{ "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 0.173888 ] [ 0.5 0.5 0.826112 ] [ 0 0 0.673888 ] [ 0 0 0.326112 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0.118501 ] [ 0 0 0.881499 ] [ 0.5 0.5 0.618501 ] [ 0.5 0.5 0.381499 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Ti" "Ti" "Ti" "Ti" "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" 4.10361375135 "source-unit" "angstrom" } "c" { "source-value" 15.8255209304 "source-unit" "angstrom" } }