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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 76-100 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
0.010
1722.021
vasp
0.000
60M
TTT
17285.869
0.237
0.286
yangxb
0.005
1722.604
vasp
0.000
60M
TTT
17285.869
0.236
0.286
yangxb
0.010
1721.777
vasp
0.000
60M
TTT
17285.869
0.236
0.286
yangxb
0.008
1721.742
vasp
0.000
60M
TTT
17285.869
0.236
0.286
yangxb
0.008
1721.845
vasp
0.000
60M
TTT
17285.869
0.236
0.286
yangxb
0.008
1721.747
vasp
0.000
60M
TTT
17285.869
0.237
0.286
yangxb
0.010
1721.884
vasp
0.000
60M
TTT
17285.869
0.236
0.286
yangxb
0.007
1721.746
vasp
0.000
60M
TTT
17285.869
0.236
0.286
yangxb
0.008
1722.084
vasp
0.000
60M
TTT
17285.869
0.237
0.286
yangxb
0.009
1722.501
vasp
0.000
60M
TTT
17285.869
0.237
0.286
yangxb
0.006
1721.378
vasp
0.000
60M
TTT
17285.869
0.236
0.286
yangxb
0.010
1721.753
vasp
0.000
60M
TTT
17285.869
0.236
0.286
yangxb
0.007
1722.208
vasp
0.000
60M
TTT
17285.869
0.237
0.286
yangxb
0.005
3442.401
vasp
0.000
60M
TTT
17285.869
0.233
0.286
yangxb
0.008
1897.249
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.008
1897.081
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.009
1897.221
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.001
1897.289
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.008
1897.381
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.006
1897.418
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.010
1897.258
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.006
1897.158
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.008
1897.320
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.003
1897.134
vasp
0.000
60M
TTT
17285.869
0.303
0.375
yangxb
0.006
1897.424
vasp
0.000
60M
TTT
17285.869
0.303
0.375
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