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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)
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
✕
Charge
✕
51
0.006
yangxb
0.000
vasp
TTT
0.000
52
0.004
yangxb
0.001
vasp
TTT
0.000
53
0.003
yangxb
0.000
vasp
TTT
0.000
54
0.009
yangxb
0.001
vasp
TTT
0.000
55
0.010
yangxb
0.001
vasp
TTT
0.000
56
0.006
yangxb
0.001
vasp
TTT
0.000
57
0.008
yangxb
0.001
vasp
TTT
0.000
58
0.007
yangxb
0.000
vasp
TTT
0.000
59
0.005
yangxb
0.001
vasp
TTT
0.000
60
0.004
yangxb
0.001
vasp
TTT
0.000
61
0.007
yangxb
0.001
vasp
TTT
0.000
62
0.006
yangxb
0.001
vasp
TTT
0.000
63
0.007
yangxb
0.001
vasp
TTT
0.000
64
0.007
yangxb
0.001
vasp
TTT
0.000
65
0.010
yangxb
0.001
vasp
TTT
0.000
66
0.007
yangxb
0.001
vasp
TTT
0.000
67
0.008
yangxb
0.001
vasp
TTT
0.000
68
0.009
yangxb
0.001
vasp
TTT
0.000
69
0.003
yangxb
0.001
vasp
TTT
0.000
70
0.007
yangxb
0.001
vasp
TTT
0.000
71
0.006
yangxb
0.001
vasp
TTT
0.000
72
0.007
yangxb
0.001
vasp
TTT
0.000
73
0.007
yangxb
0.001
vasp
TTT
0.000
74
0.007
yangxb
0.001
vasp
TTT
0.000
75
0.010
yangxb
0.000
vasp
TTT
0.000
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