element(s):
['Mo', 'Pt']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9672']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mo', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9672, 0, 0], [0, 3.9672, 0], [0, 0, 3.9672]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 09:00:57     -111.070410        9.3029
BFGS:    1 09:00:57     -111.956376        2.1464
BFGS:    2 09:00:57     -111.995801        0.4282
BFGS:    3 09:00:57     -111.997346        0.0144
BFGS:    4 09:00:57     -111.997347        0.0001
BFGS:    5 09:00:57     -111.997347        0.0000
BFGS:    6 09:00:57     -111.997347        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.675736029150926e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Pt', 'Pt', 'Pt']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.9051292192599227, -1.2474290695455048e-32, 3.353961345740832e-35], [-1.3316004524755528e-32, 3.9051292192599227, 3.34763075575171e-18], [-1.8831323033976708e-33, 3.347630755751708e-18, 3.9051292192599227]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-7.67573603e-15 -7.67573603e-15 -7.67573603e-15  8.74002431e-32
 -1.07767641e-33  3.15520883e-50]
energy per atom =  -27.999336841434143
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0