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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 101-125 out of 2180
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Au_rate
ASE-calculator name (calculator)
Maximum force (fmax)
Chemical formula (formula)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Age
✕
Charge
✕
Si_rate
✕
Volume
✕
E
✕
Energy
✕
101
43M
0.000
0.375
1897.180
0.303
-59.682
102
43M
0.000
0.375
1897.035
0.303
-59.674
103
43M
0.000
0.375
1896.457
0.303
-59.675
104
43M
0.000
0.375
1897.214
0.303
-59.682
105
43M
0.000
0.375
1897.520
0.303
-59.671
106
43M
0.000
0.375
1897.204
0.303
-59.681
107
43M
0.000
0.375
1896.850
0.303
-59.683
108
43M
0.000
0.375
1897.356
0.303
-59.675
109
43M
0.000
0.375
1897.531
0.303
-59.673
110
43M
0.000
0.375
1897.278
0.303
-59.679
111
43M
0.000
0.375
1897.169
0.303
-59.682
112
43M
0.000
0.375
1896.927
0.303
-59.682
113
43M
0.000
0.375
1897.195
0.303
-59.682
114
43M
0.000
0.375
1897.107
0.303
-59.683
115
43M
0.000
0.375
1897.001
0.303
-59.682
116
43M
0.000
0.375
1897.627
0.303
-59.681
117
43M
0.000
0.375
1897.529
0.303
-59.670
118
43M
0.000
0.375
1897.284
0.303
-59.681
119
43M
0.000
0.375
1897.758
0.303
-59.679
120
43M
0.000
0.375
1897.504
0.303
-59.681
121
43M
0.000
0.375
1897.264
0.303
-59.682
122
43M
0.000
0.375
1897.456
0.303
-59.682
123
43M
0.000
0.375
1897.289
0.303
-59.683
124
43M
0.000
0.375
1897.282
0.303
-59.681
125
43M
0.000
0.333
1442.224
0.296
-43.735
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