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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 1126-8 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)
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
50
100
200
↓
ID
✕
Formula
✕
Maximum force
✕
1126
Au
8
Si
4
0.009
1127
Au
8
Si
4
0.258
1128
Au
8
Si
4
0.032
1129
Au
8
Si
4
0.009
1130
Au
8
Si
4
0.017
1131
Au
8
Si
4
0.021
1132
Au
8
Si
4
0.009
1133
Au
8
Si
4
0.022
1134
Au
8
Si
4
0.010
1135
Au
8
Si
4
0.005
1136
Au
8
Si
4
0.012
1137
Au
8
Si
4
0.009
1138
Au
8
Si
4
0.012
1139
Au
8
Si
4
0.010
1140
Au
8
Si
4
0.028
1141
Au
8
Si
4
0.031
1142
Au
8
Si
4
0.012
1143
Au
8
Si
4
0.008
1144
Au
8
Si
4
0.005
1145
Au
8
Si
4
0.007
1146
Au
8
Si
4
0.011
1147
Au
8
Si
4
0.010
1148
Au
8
Si
4
0.047
1149
Au
8
Si
4
0.006
1150
Au
8
Si
4
0.049
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