element(s):
['Cr']
AFLOW prototype label:
A_hP2_194_c
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:
['3.0849', '1.6535058']
model name:
Sim_LAMMPS_ADP_HowellsMishin_2018_Cr__SM_884076133432_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0849, 0, 0], [-1.54245, 2.6716017681346, 0], [0, 0, 5.1009]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 10:50:57       -5.468233         2.739091
BFGS:    1 10:50:58       -5.798397         3.248263
BFGS:    2 10:50:58       -6.258228         3.601717
BFGS:    3 10:50:58       -6.775733         4.298055
BFGS:    4 10:50:59       -7.357827         3.796501
BFGS:    5 10:50:59       -7.779471         2.544661
BFGS:    6 10:50:59       -7.974667         0.764112
BFGS:    7 10:51:00       -7.983863         0.301875
BFGS:    8 10:51:00       -7.986662         0.220996
BFGS:    9 10:51:00       -8.002050         0.641272
BFGS:   10 10:51:01       -8.037139         0.478237
BFGS:   11 10:51:01       -8.028215         0.883983
BFGS:   12 10:51:01       -8.041997         0.077812
BFGS:   13 10:51:02       -8.042231         0.064607
BFGS:   14 10:51:02       -8.042650         0.047464
BFGS:   15 10:51:02       -8.042760         0.029842
BFGS:   16 10:51:03       -8.042780         0.003464
BFGS:   17 10:51:03       -8.042780         0.000171
BFGS:   18 10:51:03       -8.042780         0.000002
BFGS:   19 10:51:04       -8.042780         0.000000
BFGS:   20 10:51:04       -8.042780         0.000000
Minimization converged after 20 steps.
Maximum force component: 6.687696615283744e-32 eV/Angstrom
Maximum stress component: 5.5965962090257564e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.6675285764944565, 3.538171064225902e-17, -9.553200938565224e-36], [-1.3337642882472283, 2.310147512565139, -1.1066692364951743e-35], [-3.115833149508358e-35, -7.890466872175878e-35, 4.0692780616841935]])
forces =  [[-5.12074783e-67 -1.29676684e-66  6.68769662e-32]
 [ 5.12074783e-67  1.29676684e-66 -6.68769662e-32]]
stress =  [ 1.10069345e-11  1.10069345e-11  5.59659621e-11  1.96677482e-33
  3.78505990e-34 -2.54370594e-27]
energy per atom =  -4.021390020152389
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0