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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 2126-2150 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
✕
2126
43M
0.000
0.364
2685.830
0.290
-81.786
TTT
2127
43M
0.000
0.364
2686.231
0.290
-81.777
TTT
2128
43M
0.000
0.286
1721.546
0.237
-50.365
TTT
2129
43M
0.000
0.286
1721.926
0.236
-50.370
TTT
2130
43M
0.000
0.286
1722.407
0.236
-50.368
TTT
2131
43M
0.000
0.286
1721.910
0.236
-50.367
TTT
2132
43M
0.000
0.286
1722.091
0.236
-50.372
TTT
2133
43M
0.000
0.286
1722.164
0.236
-50.372
TTT
2134
43M
0.000
0.286
1722.177
0.236
-50.371
TTT
2135
43M
0.000
0.286
1721.561
0.236
-50.368
TTT
2136
43M
0.000
0.286
1722.169
0.236
-50.368
TTT
2137
43M
0.000
0.286
1721.598
0.236
-50.376
TTT
2138
43M
0.000
0.286
1721.875
0.236
-50.371
TTT
2139
43M
0.000
0.286
1721.569
0.236
-50.374
TTT
2140
43M
0.000
0.286
1721.362
0.236
-50.373
TTT
2141
43M
0.000
0.286
1721.595
0.236
-50.373
TTT
2142
43M
0.000
0.286
1721.609
0.236
-50.371
TTT
2143
43M
0.000
0.286
1721.846
0.236
-50.374
TTT
2144
43M
0.000
0.286
1721.214
0.236
-50.376
TTT
2145
43M
0.000
0.286
1721.717
0.237
-50.366
TTT
2146
43M
0.000
0.286
1721.859
0.236
-50.377
TTT
2147
43M
0.000
0.286
1721.451
0.236
-50.377
TTT
2148
43M
0.000
0.286
1721.834
0.236
-50.377
TTT
2149
43M
0.000
0.286
1721.925
0.236
-50.375
TTT
2150
43M
0.000
0.286
1722.231
0.236
-50.370
TTT
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