element(s):
['Co', '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:
['3.9054']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9054, 0, 0], [0, 3.9054, 0], [0, 0, 3.9054]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:26:43      -22.218456         0.797203
BFGS:    1 20:26:43      -22.242817         0.627696
BFGS:    2 20:26:43      -22.279673         0.061765
BFGS:    3 20:26:43      -22.279999         0.004147
BFGS:    4 20:26:44      -22.280000         0.000025
BFGS:    5 20:26:44      -22.280000         0.000000
BFGS:    6 20:26:44      -22.280000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.651736670003451e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Pt', 'Pt', 'Pt']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.856560370582373, -1.0024976542804717e-32, 1.7553388119291261e-34], [-1.3061804096450078e-32, 3.856560370582373, 8.174083622560391e-19], [5.757951479834452e-34, 8.174083622560423e-19, 3.856560370582373]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [2.65173667e-16 2.65173667e-16 2.65173667e-16 5.10734573e-33
 1.38123934e-34 6.38373100e-52]
energy per atom =  -5.570000000074044
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0