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quantum-espresso/NEB/examples/ESM_example/reference/Al001+H_bc3_n215.xyz

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Al 0.0000000000 0.0000000000 0.0000000000
Al 2.8634511422 0.0000000000 0.0000000000
Al 0.0000000000 2.8634511422 0.0000000000
Al 2.8634511422 2.8634511422 0.0000000000
H 0.0000000000 0.0000000000 1.6460341155
5
Al 0.0000000000 0.0000000000 0.0000000000
Al 2.8634511422 0.0000000000 0.0000000000
Al 0.0000000000 2.8634511422 0.0000000000
Al 2.8634511422 2.8634511422 0.0000000000
H 0.7556868690 0.7556868690 1.3059856153
5
Al 0.0000000000 0.0000000000 0.0000000000
Al 2.8634511422 0.0000000000 0.0000000000
Al 0.0000000000 2.8634511422 0.0000000000
Al 2.8634511422 2.8634511422 0.0000000000
H 1.4316956884 1.4316956884 0.7462429184
5
Al 0.0000000000 0.0000000000 0.0000000000
Al 2.8634511422 0.0000000000 0.0000000000
Al 0.0000000000 2.8634511422 0.0000000000
Al 2.8634511422 2.8634511422 0.0000000000
H 2.1077572580 2.1077572580 1.3059472882
5
Al 0.0000000000 0.0000000000 0.0000000000
Al 2.8634511422 0.0000000000 0.0000000000
Al 0.0000000000 2.8634511422 0.0000000000
Al 2.8634511422 2.8634511422 0.0000000000
H 2.8634511422 2.8634511422 1.6460341155
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