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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 126-31 out of 31
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
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)
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
↓
ID
✕
Formula
✕
Charge
✕
126
Au
8
Si
4
0.000
127
Au
8
Si
4
0.000
128
Au
8
Si
4
0.000
129
Au
8
Si
4
0.000
130
Au
8
Si
4
0.000
131
Au
8
Si
4
0.000
132
Au
8
Si
4
0.000
133
Au
8
Si
4
0.000
134
Au
8
Si
4
0.000
135
Au
8
Si
4
0.000
136
Au
8
Si
4
0.000
137
Au
8
Si
4
0.000
138
Au
8
Si
4
0.000
139
Au
8
Si
4
0.000
140
Au
8
Si
4
0.000
141
Au
8
Si
4
0.000
142
Au
8
Si
4
0.000
143
Au
8
Si
4
0.000
144
Au
8
Si
4
0.000
145
Au
8
Si
4
0.000
146
Au
8
Si
4
0.000
147
Au
8
Si
4
0.000
148
Au
8
Si
4
0.000
149
Au
8
Si
4
0.000
150
Au
8
Si
4
0.000
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