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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 76-100 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
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)
Rows: 25
10
25
50
100
200
↓
ID
✕
Volume
✕
Maximum force
✕
Username
✕
Energy
✕
76
7647.030
0.043
mse-gucc
-593.092
77
8000.000
0.009
mse-gucc
-591.502
78
8000.000
0.008
mse-gucc
-591.422
79
4460.351
0.767
mse-gucc
-595.896
80
6489.651
0.416
mse-gucc
-592.609
81
7194.553
0.184
mse-gucc
-593.856
82
4737.470
0.780
mse-gucc
-595.938
83
7734.188
0.033
mse-gucc
-591.549
84
8000.000
0.010
mse-gucc
-596.450
85
8000.000
0.009
mse-gucc
-596.376
86
8000.000
0.010
mse-gucc
-584.608
87
5779.407
0.593
mse-gucc
-585.585
88
6958.384
0.173
mse-gucc
-595.464
89
5132.158
0.842
mse-gucc
-593.226
90
6187.233
0.884
mse-gucc
-592.500
91
5553.211
0.848
mse-gucc
-592.846
92
6867.605
0.308
mse-gucc
-591.831
93
8000.000
0.007
mse-gucc
-591.313
94
4925.757
0.467
mse-gucc
-592.214
95
8000.000
0.007
mse-gucc
-596.062
96
8000.000
0.009
mse-gucc
-595.935
97
7004.397
0.344
mse-gucc
-594.593
98
8000.000
0.008
mse-gucc
-592.310
99
6119.199
0.622
mse-gucc
-595.720
100
3833.608
0.876
mse-gucc
-593.086
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