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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 51-8 out of 8
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Au_rate
E
Time since creation (age)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Calculator
✕
Username
✕
Energy
✕
Si_rate
✕
Charge
✕
51
vasp
yangxb
-50.366
0.286
0.000
52
vasp
yangxb
-50.363
0.286
0.000
53
vasp
yangxb
-50.364
0.286
0.000
54
vasp
yangxb
-50.381
0.286
0.000
55
vasp
yangxb
-50.369
0.286
0.000
56
vasp
yangxb
-50.380
0.286
0.000
57
vasp
yangxb
-50.381
0.286
0.000
58
vasp
yangxb
-50.374
0.286
0.000
59
vasp
yangxb
-50.363
0.286
0.000
60
vasp
yangxb
-50.375
0.286
0.000
61
vasp
yangxb
-50.366
0.286
0.000
62
vasp
yangxb
-50.375
0.286
0.000
63
vasp
yangxb
-50.369
0.286
0.000
64
vasp
yangxb
-50.366
0.286
0.000
65
vasp
yangxb
-50.361
0.286
0.000
66
vasp
yangxb
-50.374
0.286
0.000
67
vasp
yangxb
-50.370
0.286
0.000
68
vasp
yangxb
-50.379
0.286
0.000
69
vasp
yangxb
-50.371
0.286
0.000
70
vasp
yangxb
-50.379
0.286
0.000
71
vasp
yangxb
-50.374
0.286
0.000
72
vasp
yangxb
-50.379
0.286
0.000
73
vasp
yangxb
-50.377
0.286
0.000
74
vasp
yangxb
-50.369
0.286
0.000
75
vasp
yangxb
-50.374
0.286
0.000
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