element(s):
['Ca']
AFLOW prototype label:
A_hP1_191_a
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:
['3.7384', '0.93031778']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ca']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[3.7384, 0, 0], [-1.8692, 3.2375493695077, 0], [0, 0, 3.4779]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:51:22       -0.738077         0.954207
BFGS:    1 17:51:22       -0.766685         0.929630
BFGS:    2 17:51:22       -0.852777         0.548772
BFGS:    3 17:51:22       -0.852724         0.837968
BFGS:    4 17:51:22       -0.869539         0.170623
BFGS:    5 17:51:22       -0.870780         0.038904
BFGS:    6 17:51:22       -0.870856         0.008902
BFGS:    7 17:51:22       -0.870858         0.006348
BFGS:    8 17:51:22       -0.870859         0.001167
BFGS:    9 17:51:22       -0.870859         0.000138
BFGS:   10 17:51:22       -0.870859         0.000009
BFGS:   11 17:51:22       -0.870859         0.000000
BFGS:   12 17:51:22       -0.870859         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.651059495334592e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ca']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[3.3997803231173966, 1.3074630166427351e-16, 1.8377779922459456e-36], [-1.6998901615586983, 2.944296127106132, -1.1889799408746972e-35], [2.3311965583885577e-35, 9.908049494315842e-35, 3.327870673674189]])
forces =  [[0. 0. 0.]]
stress =  [-3.43890230e-11 -3.43890230e-11 -1.65105950e-10 -5.41721988e-45
 -1.68799426e-45  1.27285595e-26]
energy per atom =  -0.8708587179681648
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0