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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 1101-517 out of 517
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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)
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
✕
Maximum force
✕
1101
Au
8
Si
4
0.039
1102
Au
8
Si
4
0.044
1103
Au
8
Si
4
0.018
1104
Au
8
Si
4
0.007
1105
Au
8
Si
4
0.007
1106
Au
8
Si
4
0.008
1107
Au
8
Si
4
0.007
1108
Au
8
Si
4
0.008
1109
Au
8
Si
4
0.007
1110
Au
8
Si
4
0.009
1111
Au
8
Si
4
0.010
1112
Au
8
Si
4
0.023
1113
Au
8
Si
4
0.008
1114
Au
8
Si
4
0.010
1115
Au
8
Si
4
0.006
1116
Au
8
Si
4
0.006
1117
Au
8
Si
4
0.008
1118
Au
8
Si
4
0.024
1119
Au
8
Si
4
0.008
1120
Au
8
Si
4
0.025
1121
Au
8
Si
4
0.008
1122
Au
8
Si
4
0.014
1123
Au
8
Si
4
0.010
1124
Au
8
Si
4
0.018
1125
Au
8
Si
4
0.009
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