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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 2126-8 out of 8
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Au_rate
Si_rate
Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Username
✕
Volume
✕
E
✕
PBC
✕
2126
yangxb
2685.830
0.290
TTT
2127
yangxb
2686.231
0.290
TTT
2128
yangxb
1721.546
0.237
TTT
2129
yangxb
1721.926
0.236
TTT
2130
yangxb
1722.407
0.236
TTT
2131
yangxb
1721.910
0.236
TTT
2132
yangxb
1722.091
0.236
TTT
2133
yangxb
1722.164
0.236
TTT
2134
yangxb
1722.177
0.236
TTT
2135
yangxb
1721.561
0.236
TTT
2136
yangxb
1722.169
0.236
TTT
2137
yangxb
1721.598
0.236
TTT
2138
yangxb
1721.875
0.236
TTT
2139
yangxb
1721.569
0.236
TTT
2140
yangxb
1721.362
0.236
TTT
2141
yangxb
1721.595
0.236
TTT
2142
yangxb
1721.609
0.236
TTT
2143
yangxb
1721.846
0.236
TTT
2144
yangxb
1721.214
0.236
TTT
2145
yangxb
1721.717
0.237
TTT
2146
yangxb
1721.859
0.236
TTT
2147
yangxb
1721.451
0.236
TTT
2148
yangxb
1721.834
0.236
TTT
2149
yangxb
1721.925
0.236
TTT
2150
yangxb
1722.231
0.236
TTT
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