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_002
==== 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 13:22:23      -25.002992         1.107510
BFGS:    1 13:22:23      -25.050107         0.874896
BFGS:    2 13:22:23      -25.119548         0.018907
BFGS:    3 13:22:23      -25.119576         0.002225
BFGS:    4 13:22:23      -25.119576         0.000005
BFGS:    5 13:22:23      -25.119576         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.547821516727142e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mo', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.17136824e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.9009379046381407, 8.681737597978616e-33, -9.021114863499166e-33], [-2.1054898398889845e-33, 3.9009379046381407, -2.935818159153905e-19], [-2.570665949392926e-33, -2.9358181591539914e-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 -1.50146285e-26
  0.00000000e+00 -8.86257124e-60]
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