element(s):
['Fe', 'Pt']
AFLOW prototype label:
A3B_tP4_123_ae_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.0969', '0.82423296']
model name:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.5 0. ]]
spacegroup =  123
cell =  [[4.0969, 0, 0], [0, 4.0969, 0], [0, 0, 3.3768]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:55:50      -18.600241         2.127297
BFGS:    1 15:55:51      -18.776347         1.939203
BFGS:    2 15:55:51      -19.036581         1.665736
BFGS:    3 15:55:51      -19.248456         1.410229
BFGS:    4 15:55:51      -19.394245         1.084865
BFGS:    5 15:55:51      -19.473426         0.696876
BFGS:    6 15:55:51      -19.493485         0.321743
BFGS:    7 15:55:51      -19.497202         0.343824
BFGS:    8 15:55:51      -19.531077         0.443968
BFGS:    9 15:55:51      -19.561208         0.488375
BFGS:   10 15:55:51      -19.588677         0.489273
BFGS:   11 15:55:51      -19.612714         0.443162
BFGS:   12 15:55:52      -19.631756         0.346102
BFGS:   13 15:55:52      -19.643984         0.200110
BFGS:   14 15:55:52      -19.647836         0.031503
BFGS:   15 15:55:52      -19.647929         0.021237
BFGS:   16 15:55:52      -19.647966         0.010743
BFGS:   17 15:55:52      -19.647974         0.001715
BFGS:   18 15:55:52      -19.647975         0.000099
BFGS:   19 15:55:52      -19.647975         0.000008
BFGS:   20 15:55:52      -19.647975         0.000000
BFGS:   21 15:55:52      -19.647975         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.400459742421676e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.09826531e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.29280562e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.08017095e-33]]
cellpar =  Cell([[4.031943934831031, -4.608037354733196e-35, 3.159847497850658e-32], [4.325023855720638e-36, 4.031943934831031, 4.944841874197323e-17], [-2.1388039317991113e-32, 4.2286021062941525e-17, 2.852777990209767]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.30827351e-11 -9.30827351e-11 -2.40045974e-10 -3.41902189e-26
  3.34879083e-34  4.17383947e-50]
energy per atom =  -4.9119936416641305
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0