vasp
6.1.1
19Jun20 (build Jun 25 2020 02:42:34) complex parallel
Lin64
2021 09 27
16:14:32
No title
0
Normal
Normal (blocked Davidson)
F
1
2
1
60
2
-1
0.00001000
-0.02000000
0
2
1
242.67600000
1.30000000 1.41000000
Auto
1
0.20000000
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F
F
4
Normal (blocked Davidson)
60
1
0.00001000
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No title
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normal
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T
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F
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F
109
2
ion
element
atomtype
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Mo 1
Sn 2
type
atomspertype
element
mass
valence
pseudopotential
108Mo 95.94000000 14.00000000 PAW_PBE Mo_sv 02Feb2006
1Sn 118.71000000 14.00000000 PAW_PBE Sn_d 06Sep2000
9.39666000 0.00000000 0.00000000
0.00000000 9.39666000 0.00000000
0.00000000 0.00000000 28.79330000
2542.36832031
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F F F
T T T
F F F
F F F
F F F
F F F
T T T
F F F
F F F
F F F
F F F
F F F
F F F
T T T
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T T T
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T T T
F F F
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F F F
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F F F
F F F
F F F
F F F
F F F
T T T
F F F
F F F
F F F
F F F
T T T
F F F
F F F
F F F
F F F
F F F
F F F
T T T
F F F
F F F
F F F
F F F
T T T
F F F
F F F
F F F
F F F
F F F
F F F
T T T
F F F
F F F
F F F
F F F
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F F F
F F F
F F F
F F F
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F F F
T T T
F F F
F F F
F F F
F F F
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F F F
F F F
F F F
T T T
F F F
F F F
F F F
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F F F
F F F
F F F
F F F
F F F
T T T
F F F
F F F
F F F
F F F
T T T
F F F
F F F
F F F
F F F
F F F
T T T
-3.00000000 0.00000000 0.00010000 0.00010000