element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4677', '3.3769097']
model name:
Sim_LAMMPS_LCBOP_LosFasolino_2003_C__SM_469631949122_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:52:14      -29.434814         0.232302
BFGS:    1 10:52:15      -29.436254         0.179051
BFGS:    2 10:52:15      -29.438550         0.072764
BFGS:    3 10:52:15      -29.438630         0.072851
BFGS:    4 10:52:15      -29.442351         0.076631
BFGS:    5 10:52:15      -29.446012         0.079823
BFGS:    6 10:52:15      -29.449182         0.138995
BFGS:    7 10:52:15      -29.446218         0.286877
BFGS:    8 10:52:15      -29.454085         0.143521
BFGS:    9 10:52:16      -29.459414         0.092821
BFGS:   10 10:52:16      -29.464445         0.096012
BFGS:   11 10:52:16      -29.469397         0.098076
BFGS:   12 10:52:16      -29.474272         0.098591
BFGS:   13 10:52:16      -29.479015         0.097096
BFGS:   14 10:52:16      -29.483548         0.093227
BFGS:   15 10:52:16      -29.487761         0.111859
BFGS:   16 10:52:17      -29.491513         0.133498
BFGS:   17 10:52:17      -29.494626         0.151504
BFGS:   18 10:52:17      -29.496902         0.164825
BFGS:   19 10:52:17      -29.498176         0.169613
BFGS:   20 10:52:17      -29.498582         0.157734
BFGS:   21 10:52:17      -29.499071         0.126617
BFGS:   22 10:52:18      -29.499889         0.039931
BFGS:   23 10:52:18      -29.500083         0.004948
BFGS:   24 10:52:18      -29.500101         0.001377
BFGS:   25 10:52:18      -29.500102         0.000186
BFGS:   26 10:52:18      -29.500102         0.000007
BFGS:   27 10:52:18      -29.500102         0.000000
BFGS:   28 10:52:18      -29.500102         0.000000
Minimization converged after 28 steps.
Maximum force component: 5.050589143047095e-32 eV/Angstrom
Maximum stress component: 1.2662473914498568e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 1.12847458e-35 2.50000000e-01]
 [6.30430329e-36 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.4585148257368945, -5.218600628724004e-18, 4.264240736341147e-32], [-1.2292574128684473, 2.129136294668823, 8.528288832846842e-32], [1.2101152388984602e-31, 3.493324196170502e-31, 6.692239392887714]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-5.05058914e-32  1.74957540e-32 -1.58297953e-68]
 [ 5.05058914e-32 -1.74957540e-32  1.58297953e-68]]
stress =  [ 1.26624739e-10  1.26624739e-10  6.46008756e-11 -1.80222410e-35
 -1.56076215e-35 -2.68496358e-26]
energy per atom =  -7.375025486884278
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.