element(s):
['Pt', 'Ti']
AFLOW prototype label:
A3B_hP16_194_gh_ac
Parameter names:
['a', 'c/a', 'x4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.5878', '1.6292995', '0.83305759']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Pt', 'Ti', 'Ti']
representative atom coordinates =  [[0.5        0.         0.        ]
 [0.83305759 0.66611518 0.25      ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[5.5878, 0, 0], [-2.7939, 4.8391767512667, 0], [0, 0, 9.1042]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:12     -315.445731        7.3689
BFGS:    1 15:45:12     -316.786387        3.0438
BFGS:    2 15:45:12     -316.987690        1.9833
BFGS:    3 15:45:12     -317.080891        0.7202
BFGS:    4 15:45:12     -317.090752        0.2002
BFGS:    5 15:45:12     -317.092291        0.1647
BFGS:    6 15:45:12     -317.094239        0.0144
BFGS:    7 15:45:12     -317.094252        0.0025
BFGS:    8 15:45:12     -317.094252        0.0000
BFGS:    9 15:45:12     -317.094252        0.0000
BFGS:   10 15:45:12     -317.094252        0.0000
Minimization converged after 10 steps.
Maximum force component: 1.9871705293720508e-09 eV/Angstrom
Maximum stress component: 1.898566156250672e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[5.00000000e-01 1.99834712e-35 1.44711675e-55]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 1.95733810e-35 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.27528394e-01 6.55056787e-01 2.50000000e-01]
 [3.44943213e-01 1.72471606e-01 2.50000000e-01]
 [8.27528394e-01 1.72471606e-01 2.50000000e-01]
 [1.72471606e-01 3.44943213e-01 7.50000000e-01]
 [6.55056787e-01 8.27528394e-01 7.50000000e-01]
 [1.72471606e-01 8.27528394e-01 7.50000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[5.56427939989656, -1.2375737762567776e-18, -1.5742344170484218e-38], [-2.78213969994828, 4.818807314064855, -3.113497277768421e-38], [-7.3480285303897e-38, 3.95229178586403e-36, 9.018352480870835]])
forces =  [[ 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]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.92204271e-25  1.98717053e-09  4.44639106e-31]
 [-1.72094016e-09 -9.93585265e-10  2.96426071e-31]
 [ 1.72094016e-09 -9.93585265e-10 -2.59372812e-31]
 [ 1.92204271e-25 -1.98717053e-09  1.60852793e-47]
 [ 1.72094016e-09  9.93585265e-10 -1.29114879e-47]
 [-1.72094016e-09  9.93585265e-10 -3.17379135e-48]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.49271701e-30  3.64297834e-30  2.96426071e-30]
 [ 2.19472124e-30 -1.26712290e-30  4.04754765e-69]]
stress =  [1.89856616e-10 1.89856616e-10 1.62264121e-10 7.56349328e-34
 1.31003546e-33 6.40947515e-27]
energy per atom =  -19.81839077446993
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0