element(s):
['Fe', 'Pt']
AFLOW prototype label:
AB_tP2_123_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
2
Parameter values for parameter set 0:
['2.8506', '1.2618747']
Parameter values for parameter set 1:
['2.6559', '1.4092398']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.8506, 0, 0], [0, 2.8506, 0], [0, 0, 3.5971]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:07      -31.367773        13.774664
BFGS:    1 15:56:07      -32.955707         9.519630
BFGS:    2 15:56:07      -33.694087         3.180318
BFGS:    3 15:56:08      -33.803534         2.735137
BFGS:    4 15:56:08      -33.841750         1.327265
BFGS:    5 15:56:08      -33.853707         0.256290
BFGS:    6 15:56:08      -33.854170         0.083706
BFGS:    7 15:56:08      -33.854212         0.000634
BFGS:    8 15:56:08      -33.854212         0.000012
BFGS:    9 15:56:08      -33.854212         0.000000
BFGS:   10 15:56:08      -33.854212         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.6062554030910416e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.6407194130903524, 1.5368155094479353e-34, -3.1321925097646896e-33], [-1.440329275478349e-34, 2.640719413090352, 6.461571638555637e-18], [1.8960913541904314e-32, 8.53926060008456e-18, 3.603136671906429]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 1.60625540e-11  1.60625540e-11  1.19796810e-11 -2.29946575e-27
  1.29544049e-33 -2.48655984e-49]
energy per atom =  -16.92710619163783
===============================================
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  123
cell =  [[2.6559, 0, 0], [0, 2.6559, 0], [0, 0, 3.7428]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:09      -33.519337         6.816937
BFGS:    1 15:56:09      -33.793666         2.810487
BFGS:    2 15:56:09      -33.847766         0.793405
BFGS:    3 15:56:09      -33.853830         0.181724
BFGS:    4 15:56:09      -33.854212         0.009215
BFGS:    5 15:56:09      -33.854212         0.000895
BFGS:    6 15:56:09      -33.854212         0.000015
BFGS:    7 15:56:09      -33.854212         0.000000
BFGS:    8 15:56:09      -33.854212         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.335067251730263e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.640719413100391, 3.2242389147840743e-34, -1.7101278033347887e-33], [2.2641644149005263e-34, 2.6407194131003906, 1.6649704339107545e-20], [1.1435558096366501e-33, 2.023491255736841e-20, 3.6031366718880604]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.33506725e-11  6.33506725e-11  8.92667376e-12 -4.50224261e-27
 -5.18176194e-33  2.68540239e-50]
energy per atom =  -16.927106191637815
===============================================
Parameter sets [0, 1] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0