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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 14:51:22      -17.538350       12.8110
BFGS:    1 14:51:22      -19.481210       13.4163
BFGS:    2 14:51:22      -21.406381       13.3618
BFGS:    3 14:51:22      -23.175861       12.2770
BFGS:    4 14:51:22      -24.598294        9.3820
BFGS:    5 14:51:22      -25.476355        3.7376
BFGS:    6 14:51:22      -25.559815        2.2729
BFGS:    7 14:51:22      -25.593417        0.2799
BFGS:    8 14:51:22      -25.593930        0.0193
BFGS:    9 14:51:22      -25.593932        0.0038
BFGS:   10 14:51:22      -25.593932        0.0016
BFGS:   11 14:51:22      -25.593932        0.0001
BFGS:   12 14:51:23      -25.593932        0.0000
BFGS:   13 14:51:23      -25.593932        0.0000
BFGS:   14 14:51:23      -25.593932        0.0000
Minimization converged after 14 steps.
Maximum force component: 4.617787680919496e-31 eV/Angstrom
Maximum stress component: 2.8227243016966018e-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([[2.7037273040092824, 4.470822979609188e-17, 9.746058270642307e-36], [-1.3518636520046412, 2.341496530177649, 2.28013178420821e-35], [3.2400360975769e-35, -1.1055096136941322e-34, 4.415256273108435]])
forces =  [[ 2.66608096e-31 -4.61778768e-31 -4.49676706e-66]
 [-2.66608096e-31  1.53926256e-31  8.58231990e-67]]
stress =  [-1.18881492e-11 -1.18881492e-11  2.82272430e-11 -9.53808112e-33
 -5.50681370e-33 -7.48641817e-28]
energy per atom =  -12.796965946431449
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0