element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5867']
model name:
EAM_Dynamo_MendelevBorovikov_2020_FeNiCr__MO_922363340570_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.5867, 0, 0], [0, 3.5867, 0], [0, 0, 3.5867]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:29:11      -16.490396         1.059130
BFGS:    1 09:29:11      -16.535729         0.944599
BFGS:    2 09:29:11      -16.665547         0.855570
BFGS:    3 09:29:11      -16.796915         0.858239
BFGS:    4 09:29:11      -16.901775         0.448788
BFGS:    5 09:29:11      -16.909677         0.383870
BFGS:    6 09:29:11      -16.921756         0.029440
BFGS:    7 09:29:11      -16.921831         0.001165
BFGS:    8 09:29:11      -16.921831         0.000005
BFGS:    9 09:29:11      -16.921831         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.431299272042811e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[1.81952936e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.19077717e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.19077717e-17]
 [0.00000000e+00 6.19077717e-17 6.19077717e-17]]
cellpar =  Cell([[3.760465643093035, -1.7487572561415048e-32, 9.219346282525713e-33], [-1.1039145606429889e-32, 3.760465643093035, -2.6625664432979368e-17], [7.313821452180115e-33, -2.6625664432979343e-17, 3.760465643093035]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.43129927e-11 -6.43129927e-11 -6.43129927e-11  2.35849986e-27
 -9.07958453e-35 -2.77848418e-51]
energy per atom =  -4.230457788112828
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0