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fix "ValueError: could not convert string to float: 'ATOMIC_POSITIONS'" #721

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[pre-commit.ci] auto fixes from pre-commit.com hooks

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fix "ValueError: could not convert string to float: 'ATOMIC_POSITIONS'" #721

[pre-commit.ci] auto fixes from pre-commit.com hooks
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build (3.7)
cancelled Sep 13, 2024 in 1m 13s