element(s):
['Mo', 'Pt']
AFLOW prototype label:
AB_oP4_51_e_f
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.499', '0.61002445', '1.1067348', '0.16188715', '0.66199497']
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.         0.16188715]
 [0.25       0.5        0.66199497]]
spacegroup =  51
cell =  [[4.499, 0, 0], [0, 2.7445, 0], [0, 0, 4.9792]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:47:59     -114.954142        41.653994
BFGS:    1 14:47:59     -119.213902        28.521137
BFGS:    2 14:47:59     -120.419288        18.253668
BFGS:    3 14:47:59     -121.955746        13.789092
BFGS:    4 14:47:59     -123.037179         7.887699
BFGS:    5 14:47:59     -123.533768         4.635263
BFGS:    6 14:47:59     -123.778060         1.313070
BFGS:    7 14:47:59     -123.822647         0.402006
BFGS:    8 14:47:59     -123.826935         0.148374
BFGS:    9 14:47:59     -123.827137         0.026546
BFGS:   10 14:47:59     -123.827142         0.007963
BFGS:   11 14:47:59     -123.827143         0.004151
BFGS:   12 14:47:59     -123.827143         0.000949
BFGS:   13 14:47:59     -123.827143         0.000158
BFGS:   14 14:47:59     -123.827143         0.000008
BFGS:   15 14:47:59     -123.827143         0.000000
BFGS:   16 14:47:59     -123.827143         0.000000
BFGS:   17 14:47:59     -123.827143         0.000000
Minimization converged after 17 steps.
Maximum force component: 2.945254934795354e-09 eV/Angstrom
Maximum stress component: 2.395739403601353e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Mo', 'Pt', 'Pt']
basis =  [[2.50000000e-01 1.92784012e-34 1.96338437e-01]
 [7.50000000e-01 0.00000000e+00 8.03661563e-01]
 [2.50000000e-01 5.00000000e-01 6.88675622e-01]
 [7.50000000e-01 5.00000000e-01 3.11324378e-01]]
cellpar =  Cell([[4.616449679183834, -3.4087704359120687e-35, 0.0], [1.3018505365552884e-34, 2.9716745682629067, 0.0], [0.0, 0.0, 4.7542785777581065]])
forces =  [[ 7.28347335e-30 -5.37809146e-65  2.94525493e-09]
 [-7.28347335e-30  5.37809146e-65 -2.94525493e-09]
 [-3.64173667e-30  2.68904573e-65 -2.19653658e-09]
 [ 3.64173667e-30 -2.68904573e-65  2.19653658e-09]]
stress =  [-8.41722095e-12 -1.45840421e-11  2.39573940e-11  0.00000000e+00
  0.00000000e+00  1.04004347e-46]
energy per atom =  -30.95678580976664
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0