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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 1151-31 out of 31
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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
✕
1151
Au
8
Si
4
0.001
1152
Au
8
Si
4
0.001
1153
Au
8
Si
4
0.001
1154
Au
8
Si
4
0.001
1155
Au
8
Si
4
0.001
1156
Au
8
Si
4
0.001
1157
Au
8
Si
4
0.001
1158
Au
8
Si
4
0.001
1159
Au
8
Si
4
0.001
1160
Au
8
Si
4
0.001
1161
Au
8
Si
4
0.001
1162
Au
8
Si
4
0.001
1163
Au
8
Si
4
0.001
1164
Au
8
Si
4
0.001
1165
Au
8
Si
4
0.001
1166
Au
8
Si
4
0.001
1167
Au
8
Si
4
0.001
1168
Au
8
Si
4
0.001
1169
Au
8
Si
4
0.001
1170
Au
8
Si
4
0.001
1171
Au
8
Si
4
0.001
1172
Au
8
Si
4
0.001
1173
Au
8
Si
4
0.001
1174
Au
8
Si
4
0.001
1175
Au
8
Si
4
0.001
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