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 15:22:17      -29.434814        0.2323
BFGS:    1 15:22:17      -29.436254        0.1791
BFGS:    2 15:22:17      -29.438550        0.0728
BFGS:    3 15:22:17      -29.438630        0.0729
BFGS:    4 15:22:17      -29.442351        0.0766
BFGS:    5 15:22:17      -29.446012        0.0798
BFGS:    6 15:22:17      -29.449182        0.1390
BFGS:    7 15:22:17      -29.446218        0.2869
BFGS:    8 15:22:17      -29.454085        0.1435
BFGS:    9 15:22:17      -29.459414        0.0928
BFGS:   10 15:22:17      -29.464445        0.0960
BFGS:   11 15:22:17      -29.469397        0.0981
BFGS:   12 15:22:17      -29.474272        0.0986
BFGS:   13 15:22:17      -29.479015        0.0971
BFGS:   14 15:22:17      -29.483548        0.0932
BFGS:   15 15:22:17      -29.487761        0.1119
BFGS:   16 15:22:17      -29.491513        0.1335
BFGS:   17 15:22:17      -29.494626        0.1515
BFGS:   18 15:22:17      -29.496902        0.1648
BFGS:   19 15:22:17      -29.498176        0.1696
BFGS:   20 15:22:17      -29.498582        0.1577
BFGS:   21 15:22:17      -29.499071        0.1266
BFGS:   22 15:22:17      -29.499889        0.0399
BFGS:   23 15:22:17      -29.500083        0.0049
BFGS:   24 15:22:17      -29.500101        0.0014
BFGS:   25 15:22:17      -29.500102        0.0002
BFGS:   26 15:22:17      -29.500102        0.0000
BFGS:   27 15:22:17      -29.500102        0.0000
BFGS:   28 15:22:17      -29.500102        0.0000
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.
Successfully added property instance for parameter set 0