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_002
==== 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 09:19:16       17.374385         7.329817
BFGS:    1 09:19:16       16.289289         7.138831
BFGS:    2 09:19:16       15.232526         6.952023
BFGS:    3 09:19:16       14.203477         6.769312
BFGS:    4 09:19:16       13.201532         6.590614
BFGS:    5 09:19:16       12.226096         6.415847
BFGS:    6 09:19:16       11.276586         6.244932
BFGS:    7 09:19:16       10.352428         6.077791
BFGS:    8 09:19:16        9.453063         5.914347
BFGS:    9 09:19:16        8.577943         5.754524
BFGS:   10 09:19:16        7.726529         5.598248
BFGS:   11 09:19:16        6.898295         5.445447
BFGS:   12 09:19:16        6.092725         5.296048
BFGS:   13 09:19:16        5.309314         5.149982
BFGS:   14 09:19:16        4.547567         5.007180
BFGS:   15 09:19:16        3.807000         4.867574
BFGS:   16 09:19:16        3.087138         4.731100
BFGS:   17 09:19:16        2.387517         4.597690
BFGS:   18 09:19:16        1.707681         4.467282
BFGS:   19 09:19:16        1.047185         4.339813
BFGS:   20 09:19:17        0.405600         4.215244
BFGS:   21 09:19:17       -0.217785         4.129686
BFGS:   22 09:19:17       -0.810279         3.636440
BFGS:   23 09:19:17       -1.289518         2.752213
BFGS:   24 09:19:17       -1.641829         1.952367
BFGS:   25 09:19:17       -1.878407         1.212464
BFGS:   26 09:19:17       -2.008623         0.533637
BFGS:   27 09:19:17       -2.042143         0.040722
BFGS:   28 09:19:17       -2.042348         0.001551
BFGS:   29 09:19:17       -2.042349         0.000005
BFGS:   30 09:19:17       -2.042349         0.000000
Minimization converged after 30 steps.
Maximum force component: 2.7815550507977558e-30 eV/Angstrom
Maximum stress component: 4.19891565016031e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.78927614e-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 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.52618410e-34]
 [0.00000000e+00 2.52618410e-34 5.00000000e-01]]
cellpar =  Cell([[6.099096094636347, -3.540184758373294e-34, 1.807799833723461e-33], [3.5998378194012146e-32, 6.099096094636347, -1.195111878293516e-17], [-4.503540585407301e-34, -1.1951118782935144e-17, 6.099096094636347]])
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]
 [-1.00236218e-30 -7.76830690e-31  3.00708654e-31]
 [ 5.76358254e-31  1.27801178e-30  1.44089563e-30]
 [-1.27801178e-30 -7.76830690e-31  2.10496058e-30]
 [ 1.00236218e-30  4.00944872e-31  1.50354327e-31]
 [ 6.76594472e-31 -2.78155505e-30  6.13946836e-31]
 [ 2.53722927e-31  8.77066908e-31 -1.75413382e-30]
 [ 2.25531491e-31  1.19030509e-30  2.28977111e-30]
 [ 1.40330705e-30 -2.25531491e-30 -8.58272617e-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 =  [-4.19891565e-11 -4.19891565e-11 -4.19891565e-11  7.80906520e-28
  2.20901288e-34 -4.57993812e-51]
energy per atom =  -0.1276467928887403
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0