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 16:25:56      -13.403626        16.039776
BFGS:    1 16:25:56      -15.797230        15.839150
BFGS:    2 16:25:56      -18.145662        15.444294
BFGS:    3 16:25:56      -20.422554        14.891628
BFGS:    4 16:25:56      -22.606984        14.215965
BFGS:    5 16:25:56      -24.682588        13.444303
BFGS:    6 16:25:56      -26.636276        12.592371
BFGS:    7 16:25:56      -28.456712        11.667182
BFGS:    8 16:25:56      -30.132612        10.662929
BFGS:    9 16:25:56      -31.650578         9.557361
BFGS:   10 16:25:56      -32.992942         8.313950
BFGS:   11 16:25:56      -34.135479         6.883557
BFGS:   12 16:25:56      -35.046010         5.212496
BFGS:   13 16:25:56      -35.684412         3.246053
BFGS:   14 16:25:56      -36.003225         0.938176
BFGS:   15 16:25:56      -36.029189         0.100491
BFGS:   16 16:25:56      -36.029507         0.003272
BFGS:   17 16:25:56      -36.029507         0.000543
BFGS:   18 16:25:56      -36.029507         0.000002
BFGS:   19 16:25:56      -36.029507         0.000000
Minimization converged after 19 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4758324868412457e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Mn', 'Mn', 'Mn']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.4745795640077244, 6.193174207053069e-33, 1.31220613261849e-32], [-8.36568983505742e-33, 3.4745795640077244, -7.837440090968824e-17], [-1.111647600034262e-32, -7.837440090968827e-17, 3.4745795640077244]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.47583249e-10 -1.47583249e-10 -1.47583249e-10  2.72557272e-27
 -3.61596003e-34 -7.02636859e-51]
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