element(s):
['Al', 'Pt']
AFLOW prototype label:
A2B_cF12_225_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:
['5.9136']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[5.9136, 0, 0], [0, 5.9136, 0], [0, 0, 5.9136]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:12:50      -53.235303         0.326708
BFGS:    1 16:12:51      -53.239752         0.308799
BFGS:    2 16:12:51      -53.271964         0.122323
BFGS:    3 16:12:52      -53.278206         0.005228
BFGS:    4 16:12:52      -53.278218         0.000094
BFGS:    5 16:12:52      -53.278218         0.000000
BFGS:    6 16:12:53      -53.278218         0.000000
Minimization converged after 6 steps.
Maximum force component: 3.7633435846142976e-31 eV/Angstrom
Maximum stress component: 6.091425182139758e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.10048382e-65 1.00000000e+00 1.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]]
cellpar =  Cell([[5.957438131701224, -5.5173618542832476e-33, 3.5512887153767904e-33], [5.5173816316671586e-33, 5.957438131701224, -2.1948328034569623e-18], [-1.392997744275578e-32, -2.1948328034569484e-18, 5.957438131701224]])
forces =  [[ 1.01732662e-31  9.79081258e-32 -7.34310943e-32]
 [-2.14174025e-32 -3.36559182e-32 -2.01935509e-31]
 [ 9.40835896e-32  1.46862189e-31  3.36559182e-31]
 [-4.28348050e-32 -1.22385157e-32  3.05962893e-33]
 [ 1.19325528e-31  1.83577736e-31  3.76334358e-31]
 [-1.30034230e-32 -1.43802560e-31  7.34310943e-32]
 [ 2.75366604e-32 -1.43802560e-31 -1.91991715e-31]
 [ 6.78855169e-32  1.80518107e-31 -1.65984869e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.09142518e-14 -6.09142518e-14 -6.09142518e-14  1.35257616e-29
  8.68243192e-34 -2.89183645e-49]
energy per atom =  -4.4398514701657215
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0