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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 151-18 out of 18
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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)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Formula
✕
Volume
✕
151
Au
8
Si
4
1426.145
152
Au
8
Si
4
1438.067
153
Au
8
Si
4
1441.515
154
Au
8
Si
4
1424.960
155
Au
8
Si
4
1426.612
156
Au
8
Si
4
1438.220
157
Au
8
Si
4
1426.224
158
Au
8
Si
4
1443.956
159
Au
8
Si
4
1438.690
160
Au
8
Si
4
1427.309
161
Au
8
Si
4
1425.256
162
Au
8
Si
4
1427.228
163
Au
8
Si
4
1425.849
164
Au
8
Si
4
1438.495
165
Au
8
Si
4
1425.520
166
Au
8
Si
4
1427.002
167
Au
8
Si
4
1426.515
168
Au
8
Si
4
1425.745
169
Au
8
Si
4
1427.692
170
Au
8
Si
4
1426.977
171
Au
8
Si
4
1437.877
172
Au
8
Si
4
1425.119
173
Au
8
Si
4
1426.905
174
Au
8
Si
4
1426.357
175
Au
8
Si
4
1438.570
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