element(s):
['In', 'P']
AFLOW prototype label:
AB_cF8_216_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:
['5.9396']
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.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[5.9396, 0, 0], [0, 5.9396, 0], [0, 0, 5.9396]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:57      -27.805065         0.384819
BFGS:    1 15:17:57      -27.811244         0.364543
BFGS:    2 15:17:57      -27.851586         0.170364
BFGS:    3 15:17:57      -27.861950         0.015348
BFGS:    4 15:17:57      -27.862030         0.000573
BFGS:    5 15:17:57      -27.862030         0.000002
BFGS:    6 15:17:58      -27.862030         0.000000
Minimization converged after 6 steps.
Maximum force component: 1.0729524503463304e-30 eV/Angstrom
Maximum stress component: 8.577142369178613e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['In', 'In', 'In', 'In', 'P', 'P', 'P', 'P']
basis =  [[0.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]]
cellpar =  Cell([[5.868420966247012, -1.4440206473689744e-33, -6.972446697170115e-34], [-6.3801198915214426e-37, 5.868420966247012, -3.8127183760599036e-20], [7.460266456876542e-33, -3.8127183760610633e-20, 5.868420966247012]])
forces =  [[-2.41112910e-32  1.50695569e-33 -2.63717246e-33]
 [-6.02782275e-33  6.02782275e-33 -1.80834683e-32]
 [-1.20556455e-32 -3.01391138e-33  6.02782275e-33]
 [-3.01391138e-33 -1.80834683e-32  1.17488456e-52]
 [-2.65224201e-31  2.53168556e-31 -8.77048211e-31]
 [ 3.37558074e-31  7.23338731e-32 -6.87171794e-31]
 [-1.11514721e-31  3.61669365e-32  7.83616958e-31]
 [ 1.02472987e-31 -8.74034299e-32  1.07295245e-30]]
stress =  [-8.57714237e-12 -8.57714237e-12 -8.57714237e-12 -2.58718568e-27
  1.19304462e-34  3.46900208e-50]
energy per atom =  -3.482753807882371
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0