{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mbc" } "basis-atom-coordinates" { "source-value" [ [ 0.477958 0.151441 0.5 ] [ 0.522042 0.848559 0.5 ] [ 0.848559 0.477958 0 ] [ 0.151441 0.522042 0 ] [ 0.651441 0.977958 0 ] [ 0.977958 0.348559 0.5 ] [ 0.022042 0.651441 0.5 ] [ 0.348559 0.022042 0 ] [ 0.133599 0.080188 0.5 ] [ 0.866401 0.919812 0.5 ] [ 0.919812 0.133599 0 ] [ 0.080188 0.866401 0 ] [ 0.580188 0.633599 0 ] [ 0.633599 0.419812 0.5 ] [ 0.366401 0.580188 0.5 ] [ 0.419812 0.366401 0 ] [ 0.151 0.255979 0 ] [ 0.255979 0.849 0.5 ] [ 0.744021 0.151 0.5 ] [ 0.849 0.744021 0 ] [ 0.349 0.755979 0 ] [ 0.651 0.244021 0 ] [ 0.755979 0.651 0.5 ] [ 0.244021 0.349 0.5 ] [ 0.165104 0.488488 0.5 ] [ 0.834896 0.511512 0.5 ] [ 0.511512 0.165104 0 ] [ 0.488488 0.834896 0 ] [ 0.988488 0.665104 0 ] [ 0.665104 0.011512 0.5 ] [ 0.334896 0.988488 0.5 ] [ 0.011512 0.334896 0 ] [ 0.40137 0.366185 0.5 ] [ 0.59863 0.633815 0.5 ] [ 0.633815 0.40137 0 ] [ 0.366185 0.59863 0 ] [ 0.866185 0.90137 0 ] [ 0.90137 0.133815 0.5 ] [ 0.09863 0.866185 0.5 ] [ 0.133815 0.09863 0 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 11.85993535 "source-unit" "angstrom" } "c" { "source-value" 5.42653225 "source-unit" "angstrom" } }