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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 2180
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Au_rate
Total energy (energy)
Chemical formula (formula)
Uniqe row ID (id)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
100
200
Username
✕
Maximum force
✕
Volume
✕
Calculator
✕
Charge
✕
Age
✕
PBC
✕
Mass
✕
E
✕
Si_rate
✕
yangxb
0.005
1897.180
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.010
1897.035
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.008
1896.457
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.009
1897.214
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.001
1897.520
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.002
1897.204
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.009
1896.850
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.005
1897.356
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.009
1897.531
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.006
1897.278
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.004
1897.169
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.008
1896.927
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.010
1897.195
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.010
1897.107
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.008
1897.001
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.006
1897.627
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.007
1897.529
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.004
1897.284
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.008
1897.758
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.007
1897.504
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.003
1897.264
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.003
1897.456
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.003
1897.289
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.001
1897.282
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.010
1442.224
vasp
0.000
60M
TTT
17285.869
0.296
0.333
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