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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 51-75 out of 2180
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Au_rate
E
Si_rate
Time since creation (age)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Maximum force
✕
Username
✕
Maximum stress
✕
Calculator
✕
PBC
✕
51
0.006
yangxb
0.000
vasp
TTT
52
0.004
yangxb
0.001
vasp
TTT
53
0.003
yangxb
0.000
vasp
TTT
54
0.009
yangxb
0.001
vasp
TTT
55
0.010
yangxb
0.001
vasp
TTT
56
0.006
yangxb
0.001
vasp
TTT
57
0.008
yangxb
0.001
vasp
TTT
58
0.007
yangxb
0.000
vasp
TTT
59
0.005
yangxb
0.001
vasp
TTT
60
0.004
yangxb
0.001
vasp
TTT
61
0.007
yangxb
0.001
vasp
TTT
62
0.006
yangxb
0.001
vasp
TTT
63
0.007
yangxb
0.001
vasp
TTT
64
0.007
yangxb
0.001
vasp
TTT
65
0.010
yangxb
0.001
vasp
TTT
66
0.007
yangxb
0.001
vasp
TTT
67
0.008
yangxb
0.001
vasp
TTT
68
0.009
yangxb
0.001
vasp
TTT
69
0.003
yangxb
0.001
vasp
TTT
70
0.007
yangxb
0.001
vasp
TTT
71
0.006
yangxb
0.001
vasp
TTT
72
0.007
yangxb
0.001
vasp
TTT
73
0.007
yangxb
0.001
vasp
TTT
74
0.007
yangxb
0.001
vasp
TTT
75
0.010
yangxb
0.000
vasp
TTT
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