Add ovito data examples

2026-03-19 10:08:25 +08:00
parent ae92e80a0b
commit 64e19ba17e
2 changed files with 114 additions and 0 deletions
--- a/evaluation_examples/data/ovito/test_energy.xyz
+++ b/evaluation_examples/data/ovito/test_energy.xyz
@@ -0,0 +1,5 @@
+3
+Properties=species:S:1:pos:R:3:Potential_Energy:R:1
+O   0.000  0.000  0.000  -0.8520
+H   0.957  0.000 -0.240  -0.2341
+H  -0.957  0.000 -0.240  -0.2341