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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
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
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)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
76
Au
10
Si
4
0.010
77
Au
10
Si
4
0.005
78
Au
10
Si
4
0.010
79
Au
10
Si
4
0.008
80
Au
10
Si
4
0.008
81
Au
10
Si
4
0.008
82
Au
10
Si
4
0.010
83
Au
10
Si
4
0.007
84
Au
10
Si
4
0.008
85
Au
10
Si
4
0.009
86
Au
10
Si
4
0.006
87
Au
10
Si
4
0.010
88
Au
10
Si
4
0.007
89
Au
20
Si
8
0.005
90
Au
10
Si
6
0.008
91
Au
10
Si
6
0.008
92
Au
10
Si
6
0.009
93
Au
10
Si
6
0.001
94
Au
10
Si
6
0.008
95
Au
10
Si
6
0.006
96
Au
10
Si
6
0.010
97
Au
10
Si
6
0.006
98
Au
10
Si
6
0.008
99
Au
10
Si
6
0.003
100
Au
10
Si
6
0.006
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