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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 1076-17 out of 17
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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
✕
1076
Au
8
Si
4
0.009
1077
Au
8
Si
4
0.007
1078
Au
8
Si
4
0.075
1079
Au
8
Si
4
0.011
1080
Au
8
Si
4
0.009
1081
Au
8
Si
4
0.013
1082
Au
8
Si
4
0.009
1083
Au
8
Si
4
0.018
1084
Au
8
Si
4
0.007
1085
Au
8
Si
4
0.023
1086
Au
8
Si
4
0.017
1087
Au
8
Si
4
0.007
1088
Au
8
Si
4
0.009
1089
Au
8
Si
4
0.004
1090
Au
8
Si
4
0.008
1091
Au
8
Si
4
0.014
1092
Au
8
Si
4
0.007
1093
Au
8
Si
4
0.039
1094
Au
8
Si
4
0.009
1095
Au
8
Si
4
0.029
1096
Au
8
Si
4
0.015
1097
Au
8
Si
4
0.006
1098
Au
8
Si
4
0.010
1099
Au
8
Si
4
0.008
1100
Au
8
Si
4
0.009
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