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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 151-175 out of 414
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Time since creation (age)
ASE-calculator name (calculator)
Net charge in unit cell (charge)
Maximum force (fmax)
Chemical formula (formula)
Magnetic moment (magmom)
Number of atoms (natoms)
Maximum stress on unit cell (smax)
Username (user)
Rows: 25
10
25
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200
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ID
✕
Volume
✕
PBC
✕
perms_num
✕
Energy
✕
Mass
✕
151
3516.022
TTT
1
-597.331
17285.869
152
7709.117
TTT
1
-597.532
17285.869
153
3877.923
TTT
1
-594.713
17285.869
154
7245.350
TTT
1
-593.214
17285.869
155
3767.716
TTT
1
-599.310
17285.869
156
6727.703
TTT
1
-597.781
17285.869
157
8000.000
TTT
1
-596.047
17285.869
158
4070.328
TTT
1
-598.596
17285.869
159
4847.654
TTT
1
-598.559
17285.869
160
5986.117
TTT
1
-598.231
17285.869
161
7571.253
TTT
1
-600.351
17285.869
162
4359.209
TTT
1
-598.801
17285.869
163
7730.457
TTT
1
-594.472
17285.869
164
6845.934
TTT
1
-600.182
17285.869
165
7383.991
TTT
1
-601.282
17285.869
166
8000.000
TTT
2
-598.481
17285.869
167
7781.621
TTT
1
-593.649
17285.869
168
4336.826
TTT
1
-592.117
17285.869
169
7177.492
TTT
1
-593.146
17285.869
170
4233.520
TTT
1
-595.998
17285.869
171
8000.000
TTT
1
-593.077
17285.869
172
4552.968
TTT
1
-591.746
17285.869
173
6737.743
TTT
1
-592.382
17285.869
174
4776.966
TTT
1
-593.708
17285.869
175
8000.000
TTT
1
-593.723
17285.869
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