{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 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 ] [ 0.5 0.5 0 ] [ 0 0 0.5 ] [ 0.791948 0.708613 0 ] [ 0.291387 0.791948 0 ] [ 0.708613 0.208052 0 ] [ 0.208052 0.291387 0 ] [ 0.5 0.5 0.752092 ] [ 0.5 0.5 0.247908 ] [ 0.291948 0.208613 0.5 ] [ 0.791387 0.291948 0.5 ] [ 0.208613 0.708052 0.5 ] [ 0.708052 0.791387 0.5 ] [ 0 0 0.252092 ] [ 0 0 0.747908 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Ga" "Ga" "Sb" "Sb" "O" "O" "O" "O" "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" 5.59458803529 "source-unit" "angstrom" } "c" { "source-value" 8.10597256475 "source-unit" "angstrom" } }