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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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Au_rate
E
Time since creation (age)
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
PBC
✕
Charge
✕
Si_rate
✕
Volume
✕
TTT
0.000
0.375
1897.180
TTT
0.000
0.375
1897.035
TTT
0.000
0.375
1896.457
TTT
0.000
0.375
1897.214
TTT
0.000
0.375
1897.520
TTT
0.000
0.375
1897.204
TTT
0.000
0.375
1896.850
TTT
0.000
0.375
1897.356
TTT
0.000
0.375
1897.531
TTT
0.000
0.375
1897.278
TTT
0.000
0.375
1897.169
TTT
0.000
0.375
1896.927
TTT
0.000
0.375
1897.195
TTT
0.000
0.375
1897.107
TTT
0.000
0.375
1897.001
TTT
0.000
0.375
1897.627
TTT
0.000
0.375
1897.529
TTT
0.000
0.375
1897.284
TTT
0.000
0.375
1897.758
TTT
0.000
0.375
1897.504
TTT
0.000
0.375
1897.264
TTT
0.000
0.375
1897.456
TTT
0.000
0.375
1897.289
TTT
0.000
0.375
1897.282
TTT
0.000
0.333
1442.224
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