element(s):
['C', 'Pt']
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:
['4.7065']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Pt']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]]
spacegroup =  216
cell =  [[4.7065, 0, 0], [0, 4.7065, 0], [0, 0, 4.7065]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:05:04      -37.980969         2.085658
BFGS:    1 13:05:04      -38.156464         1.842532
BFGS:    2 13:05:04      -38.403406         1.454031
BFGS:    3 13:05:05      -38.593845         1.088955
BFGS:    4 13:05:05      -38.731208         0.746183
BFGS:    5 13:05:05      -38.818761         0.424647
BFGS:    6 13:05:05      -38.859613         0.123321
BFGS:    7 13:05:06      -38.863553         0.005600
BFGS:    8 13:05:06      -38.863562         0.000079
BFGS:    9 13:05:06      -38.863562         0.000000
BFGS:   10 13:05:06      -38.863562         0.000000
Minimization converged after 10 steps.
Maximum force component: 1.5249799376484401e-30 eV/Angstrom
Maximum stress component: 3.5246434583754457e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 1.28395299e-34 0.00000000e+00]
 [1.28005435e-34 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 2.36613981e-34]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.883726484116345, -4.34655228859679e-33, 1.3495840345847079e-33], [-9.052287679322183e-34, 4.883726484116345, -5.787710196717211e-18], [3.009603227579577e-34, -5.7877101967172095e-18, 4.883726484116345]])
forces =  [[-4.01310510e-32 -4.01310510e-32  4.75593573e-50]
 [-4.01310510e-32  4.01310510e-32 -4.01310510e-32]
 [-4.01310510e-32  2.62849750e-36  4.04249796e-32]
 [-4.01310510e-32 -4.01310510e-32 -4.01310510e-32]
 [ 1.60524204e-31  6.18271645e-49 -5.21703663e-31]
 [ 1.20393153e-31 -9.83210749e-31 -1.52497994e-30]
 [ 8.02621020e-32 -3.61179459e-31  6.42096816e-31]
 [ 1.20393153e-31 -3.41113933e-31  4.41441561e-31]]
stress =  [-3.52464346e-14 -3.52464346e-14 -3.52464346e-14  1.93572755e-30
  1.65293069e-67  2.95012087e-63]
energy per atom =  -4.857945204787985
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0