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