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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)
Periodic boundary conditions (pbc)
Maximum stress on unit cell (smax)
Rows: 25
10
25
50
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200
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ID
✕
Username
✕
Volume
✕
E
✕
76
yangxb
1722.021
0.237
77
yangxb
1722.604
0.236
78
yangxb
1721.777
0.236
79
yangxb
1721.742
0.236
80
yangxb
1721.845
0.236
81
yangxb
1721.747
0.237
82
yangxb
1721.884
0.236
83
yangxb
1721.746
0.236
84
yangxb
1722.084
0.237
85
yangxb
1722.501
0.237
86
yangxb
1721.378
0.236
87
yangxb
1721.753
0.236
88
yangxb
1722.208
0.237
89
yangxb
3442.401
0.233
90
yangxb
1897.249
0.303
91
yangxb
1897.081
0.303
92
yangxb
1897.221
0.303
93
yangxb
1897.289
0.303
94
yangxb
1897.381
0.303
95
yangxb
1897.418
0.303
96
yangxb
1897.258
0.303
97
yangxb
1897.158
0.303
98
yangxb
1897.320
0.303
99
yangxb
1897.134
0.303
100
yangxb
1897.424
0.303
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