beginning to enter geometries
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069dd6b554
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2
Ref/atoms/Al.xyz
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2
Ref/atoms/Al.xyz
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0,2
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Al
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2
Ref/atoms/B.xyz
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2
Ref/atoms/B.xyz
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0,2
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B
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2
Ref/atoms/Be.xyz
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2
Ref/atoms/Be.xyz
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0,1
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Be
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2
Ref/atoms/C.xyz
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2
Ref/atoms/C.xyz
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0,3
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C
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2
Ref/atoms/Cl.xyz
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2
Ref/atoms/Cl.xyz
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0,2
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Cl
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2
Ref/atoms/F.xyz
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2
Ref/atoms/F.xyz
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0,2
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F
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2
Ref/atoms/H.xyz
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2
Ref/atoms/H.xyz
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0,2
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H
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2
Ref/atoms/Li.xyz
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2
Ref/atoms/Li.xyz
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0,2
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Li
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2
Ref/atoms/Mg.xyz
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2
Ref/atoms/Mg.xyz
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0,1
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Mg
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2
Ref/atoms/N.xyz
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2
Ref/atoms/N.xyz
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0,4
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N
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2
Ref/atoms/Na.xyz
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2
Ref/atoms/Na.xyz
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0,2
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Na
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2
Ref/atoms/O.xyz
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2
Ref/atoms/O.xyz
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0,3
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O
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2
Ref/atoms/P.xyz
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2
Ref/atoms/P.xyz
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0,4
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P
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2
Ref/atoms/S.xyz
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2
Ref/atoms/S.xyz
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0,3
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S
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2
Ref/atoms/Si.xyz
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2
Ref/atoms/Si.xyz
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0,3
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Si
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