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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 151-17 out of 17
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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
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200
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ID
✕
Formula
✕
Charge
✕
151
Au
8
Si
4
0.000
152
Au
8
Si
4
0.000
153
Au
8
Si
4
0.000
154
Au
8
Si
4
0.000
155
Au
8
Si
4
0.000
156
Au
8
Si
4
0.000
157
Au
8
Si
4
0.000
158
Au
8
Si
4
0.000
159
Au
8
Si
4
0.000
160
Au
8
Si
4
0.000
161
Au
8
Si
4
0.000
162
Au
8
Si
4
0.000
163
Au
8
Si
4
0.000
164
Au
8
Si
4
0.000
165
Au
8
Si
4
0.000
166
Au
8
Si
4
0.000
167
Au
8
Si
4
0.000
168
Au
8
Si
4
0.000
169
Au
8
Si
4
0.000
170
Au
8
Si
4
0.000
171
Au
8
Si
4
0.000
172
Au
8
Si
4
0.000
173
Au
8
Si
4
0.000
174
Au
8
Si
4
0.000
175
Au
8
Si
4
0.000
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