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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 101-8 out of 8
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Si_rate
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Au_rate
✕
Maximum stress
✕
PBC
✕
Energy
✕
Age
✕
E
✕
101
0.625
0.001
TTT
-59.682
43M
0.303
102
0.625
0.001
TTT
-59.674
43M
0.303
103
0.625
0.000
TTT
-59.675
43M
0.303
104
0.625
0.001
TTT
-59.682
43M
0.303
105
0.625
0.001
TTT
-59.671
43M
0.303
106
0.625
0.000
TTT
-59.681
43M
0.303
107
0.625
0.000
TTT
-59.683
43M
0.303
108
0.625
0.001
TTT
-59.675
43M
0.303
109
0.625
0.000
TTT
-59.673
43M
0.303
110
0.625
0.001
TTT
-59.679
43M
0.303
111
0.625
0.000
TTT
-59.682
43M
0.303
112
0.625
0.001
TTT
-59.682
43M
0.303
113
0.625
0.001
TTT
-59.682
43M
0.303
114
0.625
0.000
TTT
-59.683
43M
0.303
115
0.625
0.001
TTT
-59.682
43M
0.303
116
0.625
0.001
TTT
-59.681
43M
0.303
117
0.625
0.001
TTT
-59.670
43M
0.303
118
0.625
0.001
TTT
-59.681
43M
0.303
119
0.625
0.001
TTT
-59.679
43M
0.303
120
0.625
0.001
TTT
-59.681
43M
0.303
121
0.625
0.000
TTT
-59.682
43M
0.303
122
0.625
0.001
TTT
-59.682
43M
0.303
123
0.625
0.001
TTT
-59.683
43M
0.303
124
0.625
0.001
TTT
-59.681
43M
0.303
125
0.667
0.000
TTT
-43.735
43M
0.296
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