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Au_rate
E
Si_rate
age
Time since creation
calculator
ASE-calculator name
charge
Net charge in unit cell
|e|
energy
Total energy
eV
fmax
Maximum force
eV/Ang
formula
Chemical formula
id
Uniqe row ID
magmom
Magnetic moment
au
mass
Sum of atomic masses in unit cell
au
natoms
Number of atoms
pbc
Periodic boundary conditions
smax
Maximum stress on unit cell
eV/Ang
3
unique_id
Random (unique) ID
user
Username
volume
Volume of unit cell
Ang
3
Displaying rows 101-125 out of 594
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ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
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200
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ID
✕
E
✕
Au_rate
✕
Mass
✕
Age
✕
Maximum force
✕
Si_rate
✕
101
0.303
0.625
17285.869
43M
0.005
0.375
102
0.303
0.625
17285.869
43M
0.010
0.375
103
0.303
0.625
17285.869
43M
0.008
0.375
104
0.303
0.625
17285.869
43M
0.009
0.375
105
0.303
0.625
17285.869
43M
0.001
0.375
106
0.303
0.625
17285.869
43M
0.002
0.375
107
0.303
0.625
17285.869
43M
0.009
0.375
108
0.303
0.625
17285.869
43M
0.005
0.375
109
0.303
0.625
17285.869
43M
0.009
0.375
110
0.303
0.625
17285.869
43M
0.006
0.375
111
0.303
0.625
17285.869
43M
0.004
0.375
112
0.303
0.625
17285.869
43M
0.008
0.375
113
0.303
0.625
17285.869
43M
0.010
0.375
114
0.303
0.625
17285.869
43M
0.010
0.375
115
0.303
0.625
17285.869
43M
0.008
0.375
116
0.303
0.625
17285.869
43M
0.006
0.375
117
0.303
0.625
17285.869
43M
0.007
0.375
118
0.303
0.625
17285.869
43M
0.004
0.375
119
0.303
0.625
17285.869
43M
0.008
0.375
120
0.303
0.625
17285.869
43M
0.007
0.375
121
0.303
0.625
17285.869
43M
0.003
0.375
122
0.303
0.625
17285.869
43M
0.003
0.375
123
0.303
0.625
17285.869
43M
0.003
0.375
124
0.303
0.625
17285.869
43M
0.001
0.375
125
0.296
0.667
17285.869
43M
0.010
0.333
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