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:
MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_002
==== 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 21:31:53      -19.850636         1.669125
BFGS:    1 21:31:53      -19.948063         1.489815
BFGS:    2 21:31:54      -20.110727         1.069614
BFGS:    3 21:31:54      -20.211223         0.585707
BFGS:    4 21:31:54      -20.243086         0.265702
BFGS:    5 21:31:54      -20.244143         0.230188
BFGS:    6 21:31:54      -20.249534         0.175026
BFGS:    7 21:31:54      -20.258117         0.253881
BFGS:    8 21:31:54      -20.267176         0.283958
BFGS:    9 21:31:54      -20.276749         0.289693
BFGS:   10 21:31:54      -20.286472         0.283704
BFGS:   11 21:31:55      -20.296014         0.272235
BFGS:   12 21:31:55      -20.305101         0.256158
BFGS:   13 21:31:55      -20.313372         0.231509
BFGS:   14 21:31:55      -20.320252         0.190756
BFGS:   15 21:31:55      -20.324962         0.121760
BFGS:   16 21:31:55      -20.326311         0.043661
BFGS:   17 21:31:55      -20.326534         0.022983
BFGS:   18 21:31:55      -20.326604         0.000243
BFGS:   19 21:31:56      -20.326604         0.000007
BFGS:   20 21:31:56      -20.326604         0.000000
BFGS:   21 21:31:56      -20.326604         0.000000
Minimization converged after 21 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.4256621677540373e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.60230721e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6947807591790984, -2.4016820036298344e-36, -1.870853483915994e-32], [7.116406192667066e-36, 3.6947807591790975, -3.253548408916322e-17], [2.583385300837197e-32, -2.912624707833968e-17, 3.6947807587365964]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.01694466e-10 -1.01694466e-10 -1.42566217e-10  9.80261919e-26
  5.64316996e-34 -3.30806994e-49]
energy per atom =  -5.081650898209882
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A3B_tP4_123_ae_c, while relaxed is A3B_cP4_221_c_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.