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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 126-17 out of 17
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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)
Maximum force (fmax)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Maximum stress
✕
126
Au
8
Si
4
0.001
127
Au
8
Si
4
0.001
128
Au
8
Si
4
0.001
129
Au
8
Si
4
0.001
130
Au
8
Si
4
0.001
131
Au
8
Si
4
0.000
132
Au
8
Si
4
0.001
133
Au
8
Si
4
0.001
134
Au
8
Si
4
0.001
135
Au
8
Si
4
0.001
136
Au
8
Si
4
0.001
137
Au
8
Si
4
0.000
138
Au
8
Si
4
0.001
139
Au
8
Si
4
0.001
140
Au
8
Si
4
0.001
141
Au
8
Si
4
0.001
142
Au
8
Si
4
0.001
143
Au
8
Si
4
0.001
144
Au
8
Si
4
0.001
145
Au
8
Si
4
0.001
146
Au
8
Si
4
0.001
147
Au
8
Si
4
0.001
148
Au
8
Si
4
0.001
149
Au
8
Si
4
0.001
150
Au
8
Si
4
0.000
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