From 07dc36842e5093df7d16daa225aaeaa6e8d14fe8 Mon Sep 17 00:00:00 2001 From: VsevolodX <79542055+VsevolodX@users.noreply.github.com> Date: Tue, 20 Feb 2024 15:52:11 -0800 Subject: [PATCH] update: start arrays in basis from 0 --- express/parsers/structure.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/express/parsers/structure.py b/express/parsers/structure.py index 2b213dd6..62a01ce6 100644 --- a/express/parsers/structure.py +++ b/express/parsers/structure.py @@ -158,8 +158,8 @@ def basis(self): """ return { "units": "crystal", - "elements": [{"id": i + 1, "value": v.species_string} for i, v in enumerate(self.structure.sites)], - "coordinates": [{"id": i + 1, "value": v.frac_coords.tolist()} for i, v in enumerate(self.structure.sites)], + "elements": [{"id": i, "value": v.species_string} for i, v in enumerate(self.structure.sites)], + "coordinates": [{"id": i, "value": v.frac_coords.tolist()} for i, v in enumerate(self.structure.sites)], } def space_group_symbol(self):