From d7a0886d6e1d91839e7da4d709bfb51788cf5423 Mon Sep 17 00:00:00 2001
From: Qiang Zhu <alecfans@gmail.com>
Date: Fri, 1 Dec 2023 09:44:40 -0800
Subject: [PATCH] fix bug in molecular contact

---
 pyxtal/__init__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/pyxtal/__init__.py b/pyxtal/__init__.py
index d21c1b0a..1077acdb 100644
--- a/pyxtal/__init__.py
+++ b/pyxtal/__init__.py
@@ -2524,7 +2524,7 @@ def get_neighboring_dists(self, site_id=0, factor=1.5, max_d=5.0):
                 _eng, _pair, _dist = site0.get_neighbors_auto(factor, max_d, False, detail=True)
             else:
                 _eng, _pair, _dist = site0.get_neighbors_wp2(site1, factor, max_d, False, detail=True)
-            pairs.extend(_pair)
+            pairs.extend([p[1] for p in _pair])
             engs.extend(_eng)
             dists.extend(_dist)
         return engs, pairs, dists