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:
EAM_Dynamo_ZhouJohnsonWadley_2004_CuAgAuNiPdPtAlPbFeMoTaWMgCoTiZr__MO_870117231765_000
==== 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 14:54:43      -88.006729         0.445494
BFGS:    1 14:54:43      -88.010352         0.428222
BFGS:    2 14:54:43      -88.031771         0.296354
BFGS:    3 14:54:44      -88.042403         0.170892
BFGS:    4 14:54:44      -88.045032         0.109038
BFGS:    5 14:54:44      -88.046269         0.125646
BFGS:    6 14:54:44      -88.049272         0.146396
BFGS:    7 14:54:44      -88.051198         0.138014
BFGS:    8 14:54:44      -88.053069         0.111276
BFGS:    9 14:54:44      -88.055348         0.116770
BFGS:   10 14:54:44      -88.058960         0.115947
BFGS:   11 14:54:44      -88.062416         0.071953
BFGS:   12 14:54:44      -88.064011         0.022526
BFGS:   13 14:54:44      -88.064265         0.005599
BFGS:   14 14:54:44      -88.064276         0.000556
BFGS:   15 14:54:44      -88.064276         0.000083
BFGS:   16 14:54:44      -88.064276         0.000007
BFGS:   17 14:54:44      -88.064276         0.000001
BFGS:   18 14:54:44      -88.064276         0.000000
BFGS:   19 14:54:44      -88.064276         0.000000
Minimization converged after 19 steps.
Maximum force component: 1.8282361719924392e-09 eV/Angstrom
Maximum stress component: 2.8811459576783814e-11 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 9.98112271e-36 1.12570072e-54]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 9.79307861e-36 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [8.33477395e-01 6.66954790e-01 2.50000000e-01]
 [3.33045210e-01 1.66522605e-01 2.50000000e-01]
 [8.33477395e-01 1.66522605e-01 2.50000000e-01]
 [1.66522605e-01 3.33045210e-01 7.50000000e-01]
 [6.66954790e-01 8.33477395e-01 7.50000000e-01]
 [1.66522605e-01 8.33477395e-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([[5.570195880531808, -5.328417303356152e-19, -1.7267603103091648e-37], [-2.785097940265904, 4.823931136595978, -3.185871983170599e-37], [4.2110943746200405e-39, 1.8142235571358956e-36, 9.274656201186204]])
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]
 [-3.22209142e-25  1.82823617e-09 -1.28608834e-31]
 [-1.58329897e-09 -9.14118086e-10  1.90531606e-31]
 [ 1.58329897e-09 -9.14118086e-10 -6.66860622e-32]
 [ 1.78222953e-25 -1.82823617e-09  1.53463825e-46]
 [ 1.58329897e-09  9.14118086e-10 -1.25814169e-46]
 [-1.58329897e-09  9.14118086e-10 -2.76496561e-47]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.15439534e-32 -7.92793892e-32 -2.00058187e-31]
 [-9.15439534e-32  7.92793892e-32 -3.81692293e-69]]
stress =  [-2.88114596e-11 -2.88114596e-11  6.28589477e-13 -1.14791650e-34
  2.10971750e-49 -7.72765298e-27]
energy per atom =  -5.504017239163232
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0