{ "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 0.75 ] [ 0 0.5 0.75 ] [ 0 0.5 0.25 ] [ 0.5 0 0.25 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.808379 0.808379 0.860654 ] [ 0.191621 0.191621 0.860654 ] [ 0.191621 0.808379 0.139346 ] [ 0.808379 0.191621 0.139346 ] [ 0.308379 0.308379 0.360654 ] [ 0.691621 0.691621 0.360654 ] [ 0.691621 0.308379 0.639346 ] [ 0.308379 0.691621 0.639346 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ca" "Ca" "Si" "Si" "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" 5.06654951 "source-unit" "angstrom" } "c" { "source-value" 6.65296646 "source-unit" "angstrom" } }