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:
MEAM_LAMMPS_KimSeolJi_2017_PtMo__MO_831380044253_001
==== 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 11:19:54      -25.002992         1.107510
BFGS:    1 11:19:54      -25.050107         0.874896
BFGS:    2 11:19:54      -25.119548         0.018907
BFGS:    3 11:19:54      -25.119576         0.002225
BFGS:    4 11:19:54      -25.119576         0.000005
BFGS:    5 11:19:54      -25.119576         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.54782151672714e-11 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([[3.9009379046381407, 1.921420539370678e-32, -9.104305318318041e-33], [1.263996509584923e-32, 3.9009379046381407, -2.935818159153905e-19], [-6.244080778005372e-33, -2.935818159153949e-19, 3.9009379046381407]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [7.54782152e-11 7.54782152e-11 7.54782152e-11 1.48331227e-26
 2.69998363e-34 2.78842087e-50]
energy per atom =  -6.279893975963747
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0