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 15:18:28      -13.403624        16.039453
BFGS:    1 15:18:28      -15.797229        15.839330
BFGS:    2 15:18:28      -18.145662        15.443849
BFGS:    3 15:18:28      -20.422553        14.891551
BFGS:    4 15:18:28      -22.606987        14.216199
BFGS:    5 15:18:28      -24.682592        13.444165
BFGS:    6 15:18:28      -26.636274        12.592536
BFGS:    7 15:18:28      -28.456715        11.667670
BFGS:    8 15:18:28      -30.132609        10.662967
BFGS:    9 15:18:28      -31.650579         9.557228
BFGS:   10 15:18:28      -32.992940         8.314202
BFGS:   11 15:18:28      -34.135475         6.883815
BFGS:   12 15:18:28      -35.046004         5.211934
BFGS:   13 15:18:28      -35.684414         3.247387
BFGS:   14 15:18:28      -36.003224         0.942909
BFGS:   15 15:18:28      -36.029160         0.108824
BFGS:   16 15:18:28      -36.029495         0.003089
BFGS:   17 15:18:28      -36.029496         0.000011
BFGS:   18 15:18:28      -36.029496         0.000000
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