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_DeluigiPasianotValencia_2021_FeNiCrCoCu__MO_657255834688_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 09:29:03      -16.988918         0.609815
BFGS:    1 09:29:03      -17.003795         0.528543
BFGS:    2 09:29:03      -17.048123         0.068940
BFGS:    3 09:29:03      -17.048955         0.005280
BFGS:    4 09:29:03      -17.048960         0.000087
BFGS:    5 09:29:03      -17.048960         0.000000
BFGS:    6 09:29:03      -17.048960         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1498678999375912e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[3.88020304e-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]
 [4.30789076e-65 6.19077717e-17 6.19077717e-17]]
cellpar =  Cell([[3.526762689036392, 3.788866927966891e-33, 3.075139133132891e-33], [1.0195112219360598e-32, 3.526762689036392, -5.642118819918802e-21], [-1.0527510174092124e-32, -5.64211881990497e-21, 3.526762689036392]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.14986790e-13  2.14986790e-13  2.14986790e-13  8.12266035e-30
 -2.47746765e-34 -3.78541599e-51]
energy per atom =  -4.262239937437289
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0