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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 1076-8 out of 8
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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
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200
↓
ID
✕
Formula
✕
Maximum stress
✕
1076
Au
8
Si
4
0.001
1077
Au
8
Si
4
0.001
1078
Au
8
Si
4
0.001
1079
Au
8
Si
4
0.001
1080
Au
8
Si
4
0.001
1081
Au
8
Si
4
0.001
1082
Au
8
Si
4
0.001
1083
Au
8
Si
4
0.001
1084
Au
8
Si
4
0.001
1085
Au
8
Si
4
0.000
1086
Au
8
Si
4
0.001
1087
Au
8
Si
4
0.001
1088
Au
8
Si
4
0.001
1089
Au
8
Si
4
0.001
1090
Au
8
Si
4
0.001
1091
Au
8
Si
4
0.001
1092
Au
8
Si
4
0.001
1093
Au
8
Si
4
0.001
1094
Au
8
Si
4
0.001
1095
Au
8
Si
4
0.001
1096
Au
8
Si
4
0.001
1097
Au
8
Si
4
0.001
1098
Au
8
Si
4
0.001
1099
Au
8
Si
4
0.001
1100
Au
8
Si
4
0.001
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