element(s):
['Mn', 'Ni']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.9926']
model name:
MEAM_LAMMPS_ChoiKimSeol_2017_NiMn__MO_348689608050_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mn', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.9926, 0, 0], [0, 2.9926, 0], [0, 0, 2.9926]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:36:05       -7.256200         1.275759
BFGS:    1 12:36:05       -7.320452         1.070477
BFGS:    2 12:36:05       -7.431145         0.369490
BFGS:    3 12:36:05       -7.442507         0.093928
BFGS:    4 12:36:05       -7.443209         0.005819
BFGS:    5 12:36:05       -7.443212         0.000084
BFGS:    6 12:36:05       -7.443212         0.000000
BFGS:    7 12:36:06       -7.443212         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 8.300462478825403e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mn', 'Ni']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.8585995236633126, -1.7798733800256627e-33, 1.4250653635059931e-33], [-2.988575255241022e-33, 2.8585995236633126, 1.50973239992628e-19], [1.6895345332887527e-33, 1.509732399926267e-19, 2.8585995236633126]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 8.30046248e-14  8.30046248e-14  8.30046248e-14  9.04064817e-31
 -1.09986817e-34 -6.22859495e-51]
energy per atom =  -3.721605904126214
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0