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MATLAB-code
ASE database
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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
perms_num
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 101-125 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Username (user)
Volume of unit cell (volume)
Rows: 25
10
25
50
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200
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ID
✕
Mass
✕
Maximum force
✕
101
17285.869
0.694
102
17285.869
0.099
103
17285.869
0.550
104
17285.869
0.563
105
17285.869
0.007
106
17285.869
0.877
107
17285.869
0.313
108
17285.869
1.051
109
17285.869
0.008
110
17285.869
0.010
111
17285.869
0.297
112
17285.869
0.508
113
17285.869
0.280
114
17285.869
0.006
115
17285.869
0.010
116
17285.869
0.308
117
17285.869
0.507
118
17285.869
0.009
119
17285.869
1.458
120
17285.869
3.780
121
17285.869
0.009
122
17285.869
0.897
123
17285.869
3.149
124
17285.869
0.632
125
17285.869
0.010
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