element(s):
['Al', 'Cr']
AFLOW prototype label:
AB2_tI6_139_a_e
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0105', '2.8863976', '0.68100698']
model name:
EAM_Dynamo_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Cr']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.         0.         0.68100698]]
spacegroup =  139
cell =  [[3.0105, 0, 0], [0, 3.0105, 0], [0, 0, 8.6895]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:17:55      -23.415861         0.678781
BFGS:    1 16:17:55      -23.436762         0.647251
BFGS:    2 16:17:55      -23.508935         0.489350
BFGS:    3 16:17:55      -23.534975         0.327680
BFGS:    4 16:17:55      -23.537556         0.290351
BFGS:    5 16:17:55      -23.544315         0.203321
BFGS:    6 16:17:55      -23.553298         0.182220
BFGS:    7 16:17:55      -23.561765         0.201871
BFGS:    8 16:17:55      -23.566151         0.185032
BFGS:    9 16:17:55      -23.568095         0.154168
BFGS:   10 16:17:55      -23.570092         0.113368
BFGS:   11 16:17:55      -23.572952         0.099492
BFGS:   12 16:17:55      -23.576630         0.078255
BFGS:   13 16:17:55      -23.578829         0.035933
BFGS:   14 16:17:55      -23.579281         0.005839
BFGS:   15 16:17:55      -23.579297         0.001024
BFGS:   16 16:17:55      -23.579297         0.000164
BFGS:   17 16:17:55      -23.579297         0.000017
BFGS:   18 16:17:55      -23.579297         0.000001
BFGS:   19 16:17:55      -23.579297         0.000000
BFGS:   20 16:17:55      -23.579297         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.4585746954849652e-10 eV/Angstrom
Maximum stress component: 3.3416970321320534e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 1.21807846e-32 6.73805985e-01]
 [8.97824953e-34 6.09039228e-33 3.26194015e-01]
 [5.00000000e-01 5.00000000e-01 1.73805985e-01]
 [5.00000000e-01 5.00000000e-01 8.26194015e-01]]
cellpar =  Cell([[3.0357531352732017, 1.721247781874806e-36, -1.8228849852235044e-32], [-1.2350736547597246e-36, 3.0357531352732012, -3.005901729464856e-17], [6.013284131268079e-33, -8.707360133860419e-17, 8.223394609149468]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.06656977e-43  1.54441982e-27 -1.45857470e-10]
 [ 1.06656977e-43 -1.54441748e-27  1.45857470e-10]
 [-1.06656977e-43  1.54441047e-27 -1.45857470e-10]
 [ 1.06656977e-43 -1.54441280e-27  1.45857470e-10]]
stress =  [-3.64226368e-12 -3.64226368e-12  3.34169703e-11  1.59036967e-27
  1.81970282e-43  5.88190441e-60]
energy per atom =  -3.929882830157508
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0