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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 2126-2150 out of 2180
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Au_rate
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Rows: 25
10
25
50
100
200
Username
✕
Maximum force
✕
Volume
✕
Calculator
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
E
✕
Si_rate
✕
Maximum stress
✕
yangxb
0.008
2685.830
vasp
0.000
60M
TTT
17285.869
0.290
0.364
0.001
yangxb
0.008
2686.231
vasp
0.000
60M
TTT
17285.869
0.290
0.364
0.001
yangxb
0.006
1721.546
vasp
0.000
60M
TTT
17285.869
0.237
0.286
0.000
yangxb
0.005
1721.926
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.010
1722.407
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.004
1721.910
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.008
1722.091
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.006
1722.164
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.009
1722.177
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.000
yangxb
0.007
1721.561
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.000
yangxb
0.009
1722.169
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.005
1721.598
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.009
1721.875
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.005
1721.569
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.000
yangxb
0.006
1721.362
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.008
1721.595
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.000
yangxb
0.008
1721.609
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.009
1721.846
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.009
1721.214
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.000
yangxb
0.007
1721.717
vasp
0.000
60M
TTT
17285.869
0.237
0.286
0.001
yangxb
0.009
1721.859
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.007
1721.451
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.007
1721.834
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.009
1721.925
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
yangxb
0.003
1722.231
vasp
0.000
60M
TTT
17285.869
0.236
0.286
0.001
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