element(s):
['Pt', 'V']
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:
['3.9443']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9443, 0, 0], [0, 3.9443, 0], [0, 0, 3.9443]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:19:53      -22.911762         1.593182
BFGS:    1 11:19:53      -23.013116         1.371948
BFGS:    2 11:19:53      -23.177719         0.802650
BFGS:    3 11:19:53      -23.247801         0.112982
BFGS:    4 11:19:53      -23.249061         0.010915
BFGS:    5 11:19:53      -23.249073         0.000129
BFGS:    6 11:19:53      -23.249073         0.000000
BFGS:    7 11:19:53      -23.249073         0.000000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.3169654484844227e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.79310796e-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]]
cellpar =  Cell([[3.815876020528423, 1.2118754437403921e-32, 3.897661575949814e-33], [4.7749108624742335e-33, 3.815876020528423, -1.5598408779375324e-18], [-8.92468426819452e-33, -1.5598408779375257e-18, 3.815876020528423]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.31696545e-13 -1.31696545e-13 -1.31696545e-13  1.14967144e-29
  3.01072265e-62  2.42218597e-62]
energy per atom =  -5.812268229496965
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0