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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 126-150 out of 414
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Au_rate
E
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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
100
200
↓
ID
✕
Formula
✕
Energy
✕
126
Au
8
Si
4
-44.358
127
Au
8
Si
4
-44.345
128
Au
8
Si
4
-43.872
129
Au
8
Si
4
-44.345
130
Au
8
Si
4
-44.341
131
Au
8
Si
4
-44.344
132
Au
8
Si
4
-44.345
133
Au
8
Si
4
-44.354
134
Au
8
Si
4
-43.745
135
Au
8
Si
4
-43.758
136
Au
8
Si
4
-44.351
137
Au
8
Si
4
-43.977
138
Au
8
Si
4
-44.347
139
Au
8
Si
4
-44.350
140
Au
8
Si
4
-44.354
141
Au
8
Si
4
-44.343
142
Au
8
Si
4
-43.785
143
Au
8
Si
4
-43.744
144
Au
8
Si
4
-43.759
145
Au
8
Si
4
-44.361
146
Au
8
Si
4
-44.348
147
Au
8
Si
4
-44.360
148
Au
8
Si
4
-43.982
149
Au
8
Si
4
-44.328
150
Au
8
Si
4
-43.751
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