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 15:25:17     -315.445731         7.368899
BFGS:    1 15:25:17     -316.786387         3.043812
BFGS:    2 15:25:17     -316.987690         1.983348
BFGS:    3 15:25:17     -317.080891         0.720167
BFGS:    4 15:25:17     -317.090752         0.200194
BFGS:    5 15:25:17     -317.092291         0.164715
BFGS:    6 15:25:17     -317.094239         0.014450
BFGS:    7 15:25:17     -317.094252         0.002454
BFGS:    8 15:25:17     -317.094252         0.000039
BFGS:    9 15:25:17     -317.094252         0.000001
BFGS:   10 15:25:17     -317.094252         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.987175357906335e-09 eV/Angstrom
Maximum stress component: 1.8985757887728583e-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 0.00000000e+00 1.44711675e-55]
 [0.00000000e+00 5.00000000e-01 5.78846700e-55]
 [5.00000000e-01 5.00000000e-01 5.78846700e-55]
 [5.00000000e-01 0.00000000e+00 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, -8.561858529433876e-19, -1.816551032821186e-38], [-2.78213969994828, 4.818807314064855, -6.725788528321494e-38], [-3.978858922726378e-37, 3.654787745711218e-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]
 [ 2.32212366e-25  1.98717536e-09  2.22319553e-30]
 [-1.72094434e-09 -9.93587679e-10 -6.66958660e-31]
 [ 1.72094434e-09 -9.93587679e-10  1.33391732e-30]
 [-2.54172129e-26 -1.98717536e-09  3.14812836e-47]
 [ 1.72094434e-09  9.93587679e-10 -2.13589492e-47]
 [-1.72094434e-09  9.93587679e-10 -1.01223344e-47]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.27512379e-67  1.17126716e-66  2.89015419e-30]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 1.89857579e-10  1.89857579e-10  1.62264176e-10  2.26904798e-33
 -1.31003546e-33 -2.96457477e-26]
energy per atom =  -19.818390774469925
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0