{ "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 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.212453 0.212453 0.11894 ] [ 0.212453 0.787547 0.88106 ] [ 0.787547 0.787547 0.11894 ] [ 0.787547 0.212453 0.88106 ] [ 0.712453 0.712453 0.61894 ] [ 0.712453 0.287547 0.38106 ] [ 0.287547 0.287547 0.61894 ] [ 0.287547 0.712453 0.38106 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "W" "W" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.08284958 "source-unit" "angstrom" } "c" { "source-value" 10.478456 "source-unit" "angstrom" } }