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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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ASE-calculator name (calculator)
Net charge in unit cell (charge)
Total energy (energy)
Chemical formula (formula)
Magnetic moment (magmom)
Sum of atomic masses in unit cell (mass)
Number of atoms (natoms)
Periodic boundary conditions (pbc)
perms_num
Maximum stress on unit cell (smax)
Volume of unit cell (volume)
Rows: 25
10
25
50
100
200
↓
ID
✕
Age
✕
Maximum force
✕
Username
✕
101
53M
0.694
mse-gucc
102
53M
0.099
mse-gucc
103
53M
0.550
mse-gucc
104
53M
0.563
mse-gucc
105
53M
0.007
mse-gucc
106
53M
0.877
mse-gucc
107
53M
0.313
mse-gucc
108
53M
1.051
mse-gucc
109
53M
0.008
mse-gucc
110
53M
0.010
mse-gucc
111
53M
0.297
mse-gucc
112
53M
0.508
mse-gucc
113
53M
0.280
mse-gucc
114
53M
0.006
mse-gucc
115
53M
0.010
mse-gucc
116
53M
0.308
mse-gucc
117
53M
0.507
mse-gucc
118
53M
0.009
mse-gucc
119
53M
1.458
mse-gucc
120
53M
3.780
mse-gucc
121
53M
0.009
mse-gucc
122
53M
0.897
mse-gucc
123
53M
3.149
mse-gucc
124
53M
0.632
mse-gucc
125
53M
0.010
mse-gucc
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