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 15:10:43     -153.112453        99.198867
BFGS:    1 15:10:43     -166.925191        85.221520
BFGS:    2 15:10:43     -178.750326        72.673024
BFGS:    3 15:10:43     -188.791545        61.413913
BFGS:    4 15:10:43     -197.232666        51.318524
BFGS:    5 15:10:43     -204.239606        42.273585
BFGS:    6 15:10:43     -209.962140        34.176948
BFGS:    7 15:10:43     -214.535483        26.936470
BFGS:    8 15:10:43     -218.087974        20.517426
BFGS:    9 15:10:43     -220.728194        14.807384
BFGS:   10 15:10:43     -222.559022         9.712263
BFGS:   11 15:10:43     -223.665861         5.135675
BFGS:   12 15:10:43     -224.125409         1.072955
BFGS:   13 15:10:43     -224.148128         0.079359
BFGS:   14 15:10:43     -224.148256         0.001368
BFGS:   15 15:10:43     -224.148256         0.000002
BFGS:   16 15:10:43     -224.148256         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.42220634470373e-29 eV/Angstrom
Maximum stress component: 2.1887141427237056e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Mo', 'Mo', 'Mo', 'Mo', 'Pt', 'Pt']
basis =  [[2.50000000e-01 3.41844255e-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 1.26507788e-49 8.84129108e-17]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[5.408582179536238, -2.313607593363556e-32, -2.233677703995891e-32], [-3.817239551988083e-32, 5.408582179536238, 5.297335953531045e-17], [-9.100097616149287e-32, 5.2973359535310477e-17, 5.408582179536238]])
forces =  [[ 2.84441269e-30 -1.33331845e-31  1.33331845e-31]
 [-1.42220634e-29 -3.11107638e-31 -1.77775793e-31]
 [-8.88878965e-32 -5.68882538e-30 -8.88878965e-32]
 [-2.22219741e-31  8.53323807e-30 -2.66663690e-31]
 [ 1.64928714e-32  1.33331845e-31 -5.68882538e-30]
 [-3.55551586e-31 -1.77775793e-31  7.11103172e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-2.18871414e-12 -2.18871414e-12 -2.18871414e-12 -9.56203709e-28
  2.24725483e-33  7.01579622e-49]
energy per atom =  -28.01853198980728
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0