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pos
sequencelengths
3
29
atomic_numbers
sequencelengths
3
29
mu
float32
0
29.6
alpha
float32
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R_2_Abs
float32
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ZPVE
float32
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U_0
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U
float32
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H
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float32
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c_v
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U_0_ATOM
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G_ATOM
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A
float32
0
620k
B
float32
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294
C
float32
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191
tags
sequencelengths
3
29
natoms
int64
3
29
id
stringlengths
3
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composition
sequencelengths
120
120
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