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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 76-8 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
✕
76
yangxb
1722.021
0.237
TTT
77
yangxb
1722.604
0.236
TTT
78
yangxb
1721.777
0.236
TTT
79
yangxb
1721.742
0.236
TTT
80
yangxb
1721.845
0.236
TTT
81
yangxb
1721.747
0.237
TTT
82
yangxb
1721.884
0.236
TTT
83
yangxb
1721.746
0.236
TTT
84
yangxb
1722.084
0.237
TTT
85
yangxb
1722.501
0.237
TTT
86
yangxb
1721.378
0.236
TTT
87
yangxb
1721.753
0.236
TTT
88
yangxb
1722.208
0.237
TTT
89
yangxb
3442.401
0.233
TTT
90
yangxb
1897.249
0.303
TTT
91
yangxb
1897.081
0.303
TTT
92
yangxb
1897.221
0.303
TTT
93
yangxb
1897.289
0.303
TTT
94
yangxb
1897.381
0.303
TTT
95
yangxb
1897.418
0.303
TTT
96
yangxb
1897.258
0.303
TTT
97
yangxb
1897.158
0.303
TTT
98
yangxb
1897.320
0.303
TTT
99
yangxb
1897.134
0.303
TTT
100
yangxb
1897.424
0.303
TTT
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