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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)
Rows: 25
10
25
50
100
200
Volume
✕
Maximum force
✕
Username
✕
Age
✕
PBC
✕
Mass
✕
E
✕
Calculator
✕
Maximum stress
✕
Charge
✕
Si_rate
✕
1897.180
0.005
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.035
0.010
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1896.457
0.008
yangxb
5y
TTT
17285.869
0.303
vasp
0.000
0.000
0.375
1897.214
0.009
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.520
0.001
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.204
0.002
yangxb
5y
TTT
17285.869
0.303
vasp
0.000
0.000
0.375
1896.850
0.009
yangxb
5y
TTT
17285.869
0.303
vasp
0.000
0.000
0.375
1897.356
0.005
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.531
0.009
yangxb
5y
TTT
17285.869
0.303
vasp
0.000
0.000
0.375
1897.278
0.006
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.169
0.004
yangxb
5y
TTT
17285.869
0.303
vasp
0.000
0.000
0.375
1896.927
0.008
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.195
0.010
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.107
0.010
yangxb
5y
TTT
17285.869
0.303
vasp
0.000
0.000
0.375
1897.001
0.008
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.627
0.006
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.529
0.007
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.284
0.004
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.758
0.008
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.504
0.007
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.264
0.003
yangxb
5y
TTT
17285.869
0.303
vasp
0.000
0.000
0.375
1897.456
0.003
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.289
0.003
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1897.282
0.001
yangxb
5y
TTT
17285.869
0.303
vasp
0.001
0.000
0.375
1442.224
0.010
yangxb
5y
TTT
17285.869
0.296
vasp
0.000
0.000
0.333
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