element(s):
['Mn', 'Si']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.6269']
model name:
MEAM_LAMMPS_AslamBaskesDickel_2019_FeMnSiC__MO_427873955970_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Mn', 'Si']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.6269, 0, 0], [0, 5.6269, 0], [0, 0, 5.6269]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:37:00       17.374385         7.329817
BFGS:    1 12:37:01       16.289289         7.138831
BFGS:    2 12:37:01       15.232526         6.952023
BFGS:    3 12:37:02       14.203477         6.769312
BFGS:    4 12:37:02       13.201532         6.590614
BFGS:    5 12:37:03       12.226096         6.415847
BFGS:    6 12:37:03       11.276586         6.244932
BFGS:    7 12:37:04       10.352428         6.077791
BFGS:    8 12:37:05        9.453063         5.914347
BFGS:    9 12:37:05        8.577943         5.754524
BFGS:   10 12:37:06        7.726529         5.598248
BFGS:   11 12:37:06        6.898295         5.445447
BFGS:   12 12:37:07        6.092725         5.296048
BFGS:   13 12:37:07        5.309314         5.149982
BFGS:   14 12:37:08        4.547567         5.007180
BFGS:   15 12:37:09        3.807000         4.867574
BFGS:   16 12:37:09        3.087138         4.731100
BFGS:   17 12:37:10        2.387517         4.597690
BFGS:   18 12:37:10        1.707681         4.467282
BFGS:   19 12:37:11        1.047185         4.339813
BFGS:   20 12:37:11        0.405600         4.215244
BFGS:   21 12:37:12       -0.217785         4.129686
BFGS:   22 12:37:13       -0.810279         3.636440
BFGS:   23 12:37:13       -1.289518         2.752213
BFGS:   24 12:37:14       -1.641829         1.952367
BFGS:   25 12:37:14       -1.878407         1.212464
BFGS:   26 12:37:15       -2.008623         0.533637
BFGS:   27 12:37:15       -2.042143         0.040722
BFGS:   28 12:37:16       -2.042348         0.001551
BFGS:   29 12:37:16       -2.042349         0.000005
BFGS:   30 12:37:17       -2.042349         0.000000
Minimization converged after 30 steps.
Maximum force component: 1.656403503222807e-29 eV/Angstrom
Maximum stress component: 4.199550809835449e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Mn', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.34622132e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.57855229e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.02117142e-66 0.00000000e+00]
 [1.34622132e-48 5.00000000e-01 1.26309205e-34]
 [0.00000000e+00 8.84164434e-34 5.00000000e-01]]
cellpar =  Cell([[6.099096094636344, 4.1148123503235563e-32, -8.299399318931554e-33], [4.2928814847593727e-32, 6.099096094636344, 1.1103474595094334e-17], [3.867880691214633e-33, 1.1103474595094352e-17, 6.099096094636344]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.90448814e-30  5.21228334e-30  1.12765745e-31]
 [ 2.33049207e-30 -1.65640350e-29 -9.97350370e-30]
 [-1.43463087e-30  8.11913366e-30  1.03243305e-29]
 [ 1.80425192e-30 -1.57934691e-29 -1.70401571e-30]
 [-5.41275577e-30  8.01889744e-30  4.51062981e-30]
 [ 3.09479323e-30 -1.13392222e-29 -3.20755898e-30]
 [ 5.51299199e-30 -9.24679111e-30 -1.07503344e-29]
 [-1.56619091e-30  5.81370065e-30  7.39242108e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-4.19955081e-11 -4.19955081e-11 -4.19955081e-11  1.81863471e-28
  6.24046139e-33 -1.46318765e-49]
energy per atom =  -0.12764679288874234
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0