{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-4m2" } "basis-atom-coordinates" { "source-value" [ [ 0.754364 0.754364 0 ] [ 0.754364 0.245636 0 ] [ 0.245636 0.754364 0 ] [ 0.245636 0.245636 0 ] [ 0 0.5 0.590277 ] [ 0.5 0 0.409723 ] [ 0 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0.795985 0 0.285177 ] [ 0 0.5 0.223339 ] [ 0 0.204015 0.714823 ] [ 0 0.795985 0.714823 ] [ 0.204015 0 0.285177 ] [ 0.285205 0.5 0.73656 ] [ 0.5 0.714795 0.26344 ] [ 0.5 0.285205 0.26344 ] [ 0.5 0 0.776661 ] [ 0.714795 0.5 0.73656 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "Si" "Ge" "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" 6.50582511 "source-unit" "angstrom" } "c" { "source-value" 4.57095652 "source-unit" "angstrom" } }