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Commit 38b99e98 authored by Ask Hjorth Larsen's avatar Ask Hjorth Larsen
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......@@ -380,8 +380,8 @@ def get_optimise_sm():
# No. Atomic x y z Radius
# Label (Frac) (Frac) (Frac) (Angs)
#--------------------------------------------------------------------------------
# 1 La c 0.333333 0.666667 0.248457 0.000000
# 2 O c 0.000000 0.000000 0.000000 0.000000
# 1 La c 0.333 0.666 0.248 0.000
# 2 O c 0.000 0.000 0.000 0.000
r'\s*\d+\s*(\S+)\s*(\S+)\s*(\S+)\s*(\S+)\s*(\S+)\s*(\S+)',
r'^$')
]),
......
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