{ "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 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.203718 0.796282 0.144575 ] [ 0.796282 0.203718 0.144575 ] [ 0.796282 0.796282 0.855425 ] [ 0.203718 0.203718 0.855425 ] [ 0.703718 0.296282 0.644575 ] [ 0.296282 0.703718 0.644575 ] [ 0.296282 0.296282 0.355425 ] [ 0.703718 0.703718 0.355425 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Ge" "Ge" "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" 5.15909552 "source-unit" "angstrom" } "c" { "source-value" 6.83042353 "source-unit" "angstrom" } }