element(s):
['Pt', 'V']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9213']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.9213, 0, 0], [0, 3.9213, 0], [0, 0, 3.9213]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:45:33      -24.207008        1.0167
BFGS:    1 15:45:33      -24.246300        0.7845
BFGS:    2 15:45:33      -24.297802        0.1157
BFGS:    3 15:45:33      -24.298792        0.0105
BFGS:    4 15:45:33      -24.298800        0.0001
BFGS:    5 15:45:33      -24.298800        0.0000
BFGS:    6 15:45:33      -24.298800        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.810044566242846e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'V']
basis =  [[3.54098236e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.8646211516471163, 1.0111313859141149e-32, -8.796206342410936e-33], [-1.8591656057676508e-32, 3.8646211516471163, 1.023918919554263e-18], [-4.631075862423386e-33, 1.0239189195542452e-18, 3.8646211516471163]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 9.81004457e-14  9.81004457e-14  9.81004457e-14  2.70307947e-29
 -2.75096682e-34 -4.32135135e-50]
energy per atom =  -6.074699998379128
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0