element(s):
['In', 'P']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1942', '1.6411473', '0.99814226', '0.37285774']
model name:
Sim_LAMMPS_Vashishta_BranicioRinoGan_2009_InP__SM_090647175366_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['In', 'P']
representative atom coordinates =  [[0.33333333 0.66666667 0.99814226]
 [0.33333333 0.66666667 0.37285774]]
spacegroup =  186
cell =  [[4.1942, 0, 0], [-2.0971, 3.6322837485527, 0], [0, 0, 6.8833]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:46:01      -13.905489         0.168463
BFGS:    1 12:46:01      -13.907680         0.131698
BFGS:    2 12:46:01      -13.912280         0.102411
BFGS:    3 12:46:01      -13.912690         0.091712
BFGS:    4 12:46:01      -13.914291         0.058923
BFGS:    5 12:46:01      -13.914420         0.064425
BFGS:    6 12:46:01      -13.914707         0.065775
BFGS:    7 12:46:01      -13.914945         0.048856
BFGS:    8 12:46:01      -13.915117         0.016862
BFGS:    9 12:46:01      -13.915150         0.002517
BFGS:   10 12:46:01      -13.915152         0.000248
BFGS:   11 12:46:01      -13.915152         0.000038
BFGS:   12 12:46:01      -13.915152         0.000001
BFGS:   13 12:46:01      -13.915152         0.000000
BFGS:   14 12:46:01      -13.915152         0.000000
Minimization converged after 14 steps.
Maximum force component: 5.066888575377959e-10 eV/Angstrom
Maximum stress component: 1.247676058818401e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In', 'P', 'P']
basis =  [[3.33333330e-01 6.66666670e-01 6.55375130e-04]
 [6.66666663e-01 3.33333337e-01 5.00655375e-01]
 [3.33333330e-01 6.66666670e-01 3.70344625e-01]
 [6.66666663e-01 3.33333337e-01 8.70344625e-01]]
cellpar =  Cell([[4.15722655179325, 3.656116157611842e-18, -1.6680746557558673e-38], [-2.078613275896625, 3.60026380314014, 3.7784809192297136e-38], [-1.032530434771205e-37, 1.8893308306151563e-36, 6.9067261273607485]])
forces =  [[-7.57481350e-48  1.38604425e-46  5.06688816e-10]
 [-7.57481350e-48  1.38604425e-46  5.06688816e-10]
 [ 7.57481413e-48 -1.38604436e-46 -5.06688858e-10]
 [ 7.57481413e-48 -1.38604436e-46 -5.06688858e-10]]
stress =  [-1.24767606e-11 -1.24767606e-11  4.15288794e-12  1.03273349e-47
  2.86189221e-34 -7.27110404e-27]
energy per atom =  -3.478788073517342
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0