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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 101-8 out of 8
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E
Si_rate
ASE-calculator name (calculator)
Total energy (energy)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
50
100
200
↓
ID
✕
Charge
✕
Mass
✕
Au_rate
✕
PBC
✕
Age
✕
Volume
✕
101
0.000
17285.869
0.625
TTT
43M
1897.180
102
0.000
17285.869
0.625
TTT
43M
1897.035
103
0.000
17285.869
0.625
TTT
43M
1896.457
104
0.000
17285.869
0.625
TTT
43M
1897.214
105
0.000
17285.869
0.625
TTT
43M
1897.520
106
0.000
17285.869
0.625
TTT
43M
1897.204
107
0.000
17285.869
0.625
TTT
43M
1896.850
108
0.000
17285.869
0.625
TTT
43M
1897.356
109
0.000
17285.869
0.625
TTT
43M
1897.531
110
0.000
17285.869
0.625
TTT
43M
1897.278
111
0.000
17285.869
0.625
TTT
43M
1897.169
112
0.000
17285.869
0.625
TTT
43M
1896.927
113
0.000
17285.869
0.625
TTT
43M
1897.195
114
0.000
17285.869
0.625
TTT
43M
1897.107
115
0.000
17285.869
0.625
TTT
43M
1897.001
116
0.000
17285.869
0.625
TTT
43M
1897.627
117
0.000
17285.869
0.625
TTT
43M
1897.529
118
0.000
17285.869
0.625
TTT
43M
1897.284
119
0.000
17285.869
0.625
TTT
43M
1897.758
120
0.000
17285.869
0.625
TTT
43M
1897.504
121
0.000
17285.869
0.625
TTT
43M
1897.264
122
0.000
17285.869
0.625
TTT
43M
1897.456
123
0.000
17285.869
0.625
TTT
43M
1897.289
124
0.000
17285.869
0.625
TTT
43M
1897.282
125
0.000
17285.869
0.667
TTT
43M
1442.224
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