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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)
Net charge in unit cell (charge)
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
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ID
✕
Calculator
✕
Username
✕
Energy
✕
Si_rate
✕
51
vasp
yangxb
-50.366
0.286
52
vasp
yangxb
-50.363
0.286
53
vasp
yangxb
-50.364
0.286
54
vasp
yangxb
-50.381
0.286
55
vasp
yangxb
-50.369
0.286
56
vasp
yangxb
-50.380
0.286
57
vasp
yangxb
-50.381
0.286
58
vasp
yangxb
-50.374
0.286
59
vasp
yangxb
-50.363
0.286
60
vasp
yangxb
-50.375
0.286
61
vasp
yangxb
-50.366
0.286
62
vasp
yangxb
-50.375
0.286
63
vasp
yangxb
-50.369
0.286
64
vasp
yangxb
-50.366
0.286
65
vasp
yangxb
-50.361
0.286
66
vasp
yangxb
-50.374
0.286
67
vasp
yangxb
-50.370
0.286
68
vasp
yangxb
-50.379
0.286
69
vasp
yangxb
-50.371
0.286
70
vasp
yangxb
-50.379
0.286
71
vasp
yangxb
-50.374
0.286
72
vasp
yangxb
-50.379
0.286
73
vasp
yangxb
-50.377
0.286
74
vasp
yangxb
-50.369
0.286
75
vasp
yangxb
-50.374
0.286
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