{ "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 0.5 0 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.240511 0.240511 0.124805 ] [ 0.759489 0.759489 0.124805 ] [ 0.240511 0.759489 0.875195 ] [ 0.759489 0.240511 0.875195 ] [ 0.740511 0.740511 0.624805 ] [ 0.259489 0.259489 0.624805 ] [ 0.740511 0.259489 0.375195 ] [ 0.259489 0.740511 0.375195 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Sb" "Sb" "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" 5.66857439 "source-unit" "angstrom" } "c" { "source-value" 11.12366744 "source-unit" "angstrom" } }