element(s):
['Mn']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2351']
model name:
EAM_IMD_SchopfBrommerFrigan_2012_AlMnPd__MO_878712978062_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2351, 0, 0], [0, 4.2351, 0], [0, 0, 4.2351]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:04:26      -13.403624       16.0395
BFGS:    1 17:04:26      -15.797229       15.8393
BFGS:    2 17:04:26      -18.145662       15.4438
BFGS:    3 17:04:26      -20.422553       14.8916
BFGS:    4 17:04:26      -22.606987       14.2162
BFGS:    5 17:04:26      -24.682592       13.4442
BFGS:    6 17:04:26      -26.636274       12.5925
BFGS:    7 17:04:26      -28.456715       11.6677
BFGS:    8 17:04:26      -30.132609       10.6630
BFGS:    9 17:04:26      -31.650579        9.5572
BFGS:   10 17:04:26      -32.992940        8.3142
BFGS:   11 17:04:26      -34.135475        6.8838
BFGS:   12 17:04:26      -35.046004        5.2119
BFGS:   13 17:04:26      -35.684414        3.2474
BFGS:   14 17:04:26      -36.003224        0.9429
BFGS:   15 17:04:26      -36.029160        0.1088
BFGS:   16 17:04:26      -36.029495        0.0031
BFGS:   17 17:04:26      -36.029496        0.0000
BFGS:   18 17:04:26      -36.029496        0.0000
Minimization converged after 18 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.902974836302833e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.86892837e-34]]
cellpar =  Cell([[3.4744760402802726, 1.7670588984065642e-32, 3.4746505646631664e-33], [2.4277755612870288e-32, 3.4744760402802726, -2.7343332544588855e-17], [9.488202228873389e-33, -2.7343332544588876e-17, 3.474476040280273]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.90297484e-10 -2.90297484e-10 -2.90297484e-10 -7.75295952e-27
  7.23235103e-34  8.11694480e-50]
energy per atom =  -9.007373886238456
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0