element(s):
['Al', '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:
['3.8941']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8941, 0, 0], [0, 3.8941, 0], [0, 0, 3.8941]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:00:02      -23.553022        0.4607
BFGS:    1 14:00:02      -23.560980        0.3451
BFGS:    2 14:00:02      -23.570778        0.0168
BFGS:    3 14:00:02      -23.570800        0.0006
BFGS:    4 14:00:02      -23.570800        0.0000
BFGS:    5 14:00:02      -23.570800        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.3547783619310636e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [8.84145489e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 9.95459324e-35 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.99091865e-34]]
cellpar =  Cell([[3.8694297144845504, 5.524875792024558e-33, -1.1866723299643998e-34], [4.2946477836977e-33, 3.8694297144845504, 4.247298493668848e-18], [1.5273637550903062e-34, 4.247298493668848e-18, 3.8694297144845504]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.35477836e-12 -3.35477836e-12 -3.35477836e-12 -3.77692195e-30
 -6.00279265e-35 -1.34427385e-52]
energy per atom =  -5.892700002366491
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0