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_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
==== 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 15:18:39      -13.403626        16.039776
BFGS:    1 15:18:39      -15.797230        15.839150
BFGS:    2 15:18:39      -18.145662        15.444294
BFGS:    3 15:18:39      -20.422554        14.891628
BFGS:    4 15:18:39      -22.606984        14.215965
BFGS:    5 15:18:39      -24.682588        13.444303
BFGS:    6 15:18:39      -26.636276        12.592371
BFGS:    7 15:18:39      -28.456712        11.667182
BFGS:    8 15:18:39      -30.132612        10.662929
BFGS:    9 15:18:39      -31.650578         9.557361
BFGS:   10 15:18:39      -32.992942         8.313950
BFGS:   11 15:18:39      -34.135479         6.883557
BFGS:   12 15:18:39      -35.046010         5.212496
BFGS:   13 15:18:39      -35.684412         3.246053
BFGS:   14 15:18:39      -36.003225         0.938176
BFGS:   15 15:18:39      -36.029189         0.100491
BFGS:   16 15:18:40      -36.029507         0.003272
BFGS:   17 15:18:40      -36.029507         0.000543
BFGS:   18 15:18:40      -36.029507         0.000002
BFGS:   19 15:18:40      -36.029507         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4758245864885506e-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 4.43433206e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.474579564007725, 3.163574338095037e-32, -4.384290726862251e-33], [3.5056515497674025e-32, 3.474579564007725, -2.0800609164442084e-17], [-1.0553591070468246e-32, -2.080060916444207e-17, 3.474579564007725]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.47582459e-10 -1.47582459e-10 -1.47582459e-10  5.75155315e-27
  1.70162825e-34  5.70319106e-52]
energy per atom =  -9.007532785924557
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0