element(s):
['Mo', 'Pt']
AFLOW prototype label:
A3B_cP8_223_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:
['5.0229']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Pt']
representative atom coordinates =  [[0.25 0.   0.5 ]
 [0.   0.   0.  ]]
spacegroup =  223
cell =  [[5.0229, 0, 0], [0, 5.0229, 0], [0, 0, 5.0229]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:36:27     -153.112453        99.198867
BFGS:    1 09:36:27     -166.925191        85.221520
BFGS:    2 09:36:27     -178.750326        72.673024
BFGS:    3 09:36:27     -188.791545        61.413913
BFGS:    4 09:36:27     -197.232666        51.318524
BFGS:    5 09:36:27     -204.239606        42.273585
BFGS:    6 09:36:27     -209.962140        34.176948
BFGS:    7 09:36:27     -214.535483        26.936470
BFGS:    8 09:36:27     -218.087974        20.517426
BFGS:    9 09:36:27     -220.728194        14.807384
BFGS:   10 09:36:27     -222.559022         9.712263
BFGS:   11 09:36:27     -223.665861         5.135675
BFGS:   12 09:36:27     -224.125409         1.072955
BFGS:   13 09:36:28     -224.148128         0.079359
BFGS:   14 09:36:28     -224.148256         0.001368
BFGS:   15 09:36:28     -224.148256         0.000002
BFGS:   16 09:36:28     -224.148256         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.8444126894074594e-30 eV/Angstrom
Maximum stress component: 2.1928158929736464e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo', 'Mo', 'Mo', 'Pt', 'Pt']
basis =  [[2.50000000e-01 1.06826330e-33 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 8.84129108e-17]
 [5.00000000e-01 7.50000000e-01 8.84129108e-17]
 [4.42064554e-17 5.00000000e-01 2.50000000e-01]
 [4.42064554e-17 5.00000000e-01 7.50000000e-01]
 [4.42064554e-17 0.00000000e+00 8.84129108e-17]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[5.408582179536237, -3.386092030063697e-32, -4.777200132636591e-33], [-1.2919096154207981e-32, 5.408582179536237, -6.7683291920052554e-18], [3.35979233944653e-33, -6.76832919200527e-18, 5.408582179536237]])
forces =  [[-2.84441269e-30  2.22469596e-49 -1.77775793e-31]
 [ 2.84441269e-30  1.77775793e-31  8.88878965e-32]
 [-1.77775793e-31  1.11298151e-63  1.57022768e-64]
 [ 8.88878965e-32 -2.22469596e-49  1.77775793e-31]
 [-4.44439483e-32 -1.77775793e-31  2.22469596e-49]
 [ 1.77775793e-31  8.88878965e-32 -1.11234798e-49]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.19281589e-12 -2.19281589e-12 -2.19281589e-12  2.27161886e-29
  1.01126467e-32 -7.92169065e-50]
energy per atom =  -28.018531989807286
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0