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 17:04:38      -13.403626       16.0398
BFGS:    1 17:04:38      -15.797230       15.8392
BFGS:    2 17:04:38      -18.145662       15.4443
BFGS:    3 17:04:38      -20.422554       14.8916
BFGS:    4 17:04:38      -22.606984       14.2160
BFGS:    5 17:04:38      -24.682588       13.4443
BFGS:    6 17:04:38      -26.636276       12.5924
BFGS:    7 17:04:38      -28.456712       11.6672
BFGS:    8 17:04:38      -30.132612       10.6629
BFGS:    9 17:04:38      -31.650578        9.5574
BFGS:   10 17:04:38      -32.992942        8.3140
BFGS:   11 17:04:38      -34.135479        6.8836
BFGS:   12 17:04:38      -35.046010        5.2125
BFGS:   13 17:04:38      -35.684412        3.2461
BFGS:   14 17:04:38      -36.003225        0.9382
BFGS:   15 17:04:38      -36.029189        0.1005
BFGS:   16 17:04:38      -36.029507        0.0033
BFGS:   17 17:04:38      -36.029507        0.0005
BFGS:   18 17:04:38      -36.029507        0.0000
BFGS:   19 17:04:38      -36.029507        0.0000
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