diff --git a/regtest/analysis/rt43/input.xyz b/regtest/analysis/rt43/input.xyz index 0b70568f97ec07866540c11364af30a2064aa494..9e1e59174c1ce7a8d31fa8220d64ea05a9edbc14 100644 --- a/regtest/analysis/rt43/input.xyz +++ b/regtest/analysis/rt43/input.xyz @@ -1,5 +1,5 @@ 7 -100000. 100000. 100000. +100. 100. 100. Ar 7.3933470660 -2.6986483924 0.0000000000 Ar 7.8226765198 -0.7390907295 0.0000000000 Ar 7.1014969839 -1.6164766614 0.0000000000