element(s):
['Al', 'Pt']
AFLOW prototype label:
AB_cP8_198_a_a
Parameter names:
['a', 'x1', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8848', '0.84342988', '0.1552473']
model name:
EMT_Asap_Standard_JacobsenStoltzeNorskov_1996_AlAgAuCuNiPdPt__MO_115316750986_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.84342988 0.84342988 0.84342988]
 [0.1552473  0.1552473  0.1552473 ]]
spacegroup =  198
cell =  [[4.8848, 0, 0], [0, 4.8848, 0], [0, 0, 4.8848]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:22:39      -33.062088        2.6267
BFGS:    1 15:22:39      -33.362852        2.4048
BFGS:    2 15:22:39      -33.718830        2.1154
BFGS:    3 15:22:39      -34.026316        1.8390
BFGS:    4 15:22:39      -34.289214        1.5720
BFGS:    5 15:22:39      -34.509818        1.3179
BFGS:    6 15:22:39      -34.690762        1.0744
BFGS:    7 15:22:39      -34.834136        0.8385
BFGS:    8 15:22:39      -34.941445        0.6072
BFGS:    9 15:22:39      -35.014002        0.3810
BFGS:   10 15:22:39      -35.054229        0.1704
BFGS:   11 15:22:39      -35.066320        0.1129
BFGS:   12 15:22:39      -35.067799        0.0966
BFGS:   13 15:22:39      -35.069866        0.0601
BFGS:   14 15:22:39      -35.071419        0.0291
BFGS:   15 15:22:39      -35.071931        0.0097
BFGS:   16 15:22:39      -35.071968        0.0019
BFGS:   17 15:22:39      -35.071970        0.0005
BFGS:   18 15:22:39      -35.071970        0.0004
BFGS:   19 15:22:39      -35.071970        0.0003
BFGS:   20 15:22:39      -35.071970        0.0002
BFGS:   21 15:22:39      -35.071970        0.0000
BFGS:   22 15:22:39      -35.071970        0.0000
BFGS:   23 15:22:39      -35.071970        0.0000
BFGS:   24 15:22:39      -35.071970        0.0000
BFGS:   25 15:22:39      -35.071970        0.0000
Minimization converged after 25 steps.
Maximum force component: 1.721398369396705e-09 eV/Angstrom
Maximum stress component: 8.666827006605919e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.84695499 0.84695499 0.84695499]
 [0.65304501 0.15304501 0.34695499]
 [0.15304501 0.34695499 0.65304501]
 [0.34695499 0.65304501 0.15304501]
 [0.15140712 0.15140712 0.15140712]
 [0.34859288 0.84859288 0.65140712]
 [0.84859288 0.65140712 0.34859288]
 [0.65140712 0.34859288 0.84859288]]
cellpar =  Cell([5.209722848168146, 5.209722848168146, 5.209722848168146])
forces =  [[-2.55096683e-10 -2.55096683e-10 -2.55096683e-10]
 [ 2.55096683e-10  2.55096683e-10 -2.55096683e-10]
 [ 2.55096683e-10 -2.55096683e-10  2.55096683e-10]
 [-2.55096683e-10  2.55096683e-10  2.55096683e-10]
 [-1.72139837e-09 -1.72139837e-09 -1.72139837e-09]
 [ 1.72139837e-09  1.72139837e-09 -1.72139837e-09]
 [ 1.72139837e-09 -1.72139837e-09  1.72139837e-09]
 [-1.72139837e-09  1.72139837e-09  1.72139837e-09]]
stress =  [8.66682701e-12 8.66682701e-12 8.66682701e-12 0.00000000e+00
 0.00000000e+00 0.00000000e+00]
energy per atom =  -4.383996248333081
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0