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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)
Total energy (energy)
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
✕
101
43M
0.000
0.375
1897.180
0.303
102
43M
0.000
0.375
1897.035
0.303
103
43M
0.000
0.375
1896.457
0.303
104
43M
0.000
0.375
1897.214
0.303
105
43M
0.000
0.375
1897.520
0.303
106
43M
0.000
0.375
1897.204
0.303
107
43M
0.000
0.375
1896.850
0.303
108
43M
0.000
0.375
1897.356
0.303
109
43M
0.000
0.375
1897.531
0.303
110
43M
0.000
0.375
1897.278
0.303
111
43M
0.000
0.375
1897.169
0.303
112
43M
0.000
0.375
1896.927
0.303
113
43M
0.000
0.375
1897.195
0.303
114
43M
0.000
0.375
1897.107
0.303
115
43M
0.000
0.375
1897.001
0.303
116
43M
0.000
0.375
1897.627
0.303
117
43M
0.000
0.375
1897.529
0.303
118
43M
0.000
0.375
1897.284
0.303
119
43M
0.000
0.375
1897.758
0.303
120
43M
0.000
0.375
1897.504
0.303
121
43M
0.000
0.375
1897.264
0.303
122
43M
0.000
0.375
1897.456
0.303
123
43M
0.000
0.375
1897.289
0.303
124
43M
0.000
0.375
1897.282
0.303
125
43M
0.000
0.333
1442.224
0.296
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