{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0.5 0.047469 ] [ 0 0 0.208602 ] [ 0.5 0 0.952531 ] [ 0 0 0.791398 ] [ 0.5 0 0.547469 ] [ 0.5 0.5 0.708602 ] [ 0 0.5 0.452531 ] [ 0.5 0.5 0.291398 ] ] } "species" { "source-value" [ "Mn" "Mn" "Sb" "Sb" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.99355578 "source-unit" "angstrom" } "c" { "source-value" 9.76112462 "source-unit" "angstrom" } }