{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4mm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.003977 ] [ 0.5 0.5 0.184223 ] [ 0.5 0.5 0.503977 ] [ 0 0 0.684223 ] [ 0.5 0.5 0.050034 ] [ 0.5 0 0.092722 ] [ 0.5 0.5 0.955736 ] [ 0 0.5 0.092722 ] [ 0 0 0.550034 ] [ 0 0.5 0.592722 ] [ 0 0 0.455736 ] [ 0.5 0 0.592722 ] [ 0 0.5 0.780907 ] [ 0.5 0 0.780907 ] [ 0.5 0 0.897049 ] [ 0 0.5 0.897049 ] [ 0 0 0.151673 ] [ 0.5 0 0.280907 ] [ 0 0.5 0.280907 ] [ 0 0.5 0.397049 ] [ 0.5 0 0.397049 ] [ 0.5 0.5 0.651673 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.42436172555 "source-unit" "angstrom" } "c" { "source-value" 25.0310733142 "source-unit" "angstrom" } }