{ "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" [ [ 0.5 0.5 0 ] [ 0 0 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 ] [ 0.5 0.5 0.5 ] [ 0.255777 0.255777 0.865128 ] [ 0.255777 0.744223 0.134872 ] [ 0.744223 0.744223 0.865128 ] [ 0.744223 0.255777 0.134872 ] [ 0.755777 0.755777 0.365128 ] [ 0.755777 0.244223 0.634872 ] [ 0.244223 0.244223 0.365128 ] [ 0.244223 0.755777 0.634872 ] ] } "species" { "source-value" [ "Mn" "Mn" "Cu" "Cu" "Cu" "Cu" "Sn" "Sn" "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" 5.51139607382 "source-unit" "angstrom" } "c" { "source-value" 10.8470064112 "source-unit" "angstrom" } }