element(s):
['He']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.292']
model name:
EAM_Dynamo_BonnyGrigorevTerentyev_2014EAM1_WHHe__MO_292520929154_000
==== Building ASE atoms object with: ====
representative atom symbols = ['He']
representative atom coordinates = [[0 0 0]]
spacegroup = 229
cell = [[3.292, 0, 0], [0, 3.292, 0], [0, 0, 3.292]]
=========================================
Step Time Energy fmax
BFGS: 0 16:11:36 -0.005874 0.056179
BFGS: 1 16:11:36 -0.006010 0.057045
BFGS: 2 16:11:36 -0.019270 0.124034
BFGS: 3 16:11:36 -0.044505 0.216718
BFGS: 4 16:11:36 -0.085570 0.335095
BFGS: 5 16:11:36 -0.146394 0.482417
BFGS: 6 16:11:36 -0.232951 0.680903
BFGS: 7 16:11:36 -0.353434 0.934753
BFGS: 8 16:11:36 -0.516146 1.243966
BFGS: 9 16:11:36 -0.729392 1.608542
BFGS: 10 16:11:36 -1.001476 2.028480
BFGS: 11 16:11:36 -1.340704 2.503782
BFGS: 12 16:11:36 -1.755379 3.034446
BFGS: 13 16:11:36 -2.253803 3.619754
BFGS: 14 16:11:36 -2.836670 4.120356
BFGS: 15 16:11:36 -3.480474 4.432245
BFGS: 16 16:11:36 -4.158988 4.607992
BFGS: 17 16:11:36 -4.861564 4.745015
BFGS: 18 16:11:36 -5.569598 4.644983
BFGS: 19 16:11:36 -6.239924 4.242235
BFGS: 20 16:11:36 -6.840560 3.806375
BFGS: 21 16:11:36 -7.399792 3.724055
BFGS: 22 16:11:36 -7.979979 4.085772
BFGS: 23 16:11:36 -8.647810 4.898482
BFGS: 24 16:11:36 -9.480692 6.292618
BFGS: 25 16:11:36 -10.523962 7.689088
BFGS: 26 16:11:36 -11.858484 10.378290
BFGS: 27 16:11:36 -13.712392 14.258397
BFGS: 28 16:11:36 -16.076132 17.102799
BFGS: 29 16:11:36 -18.827597 19.940965
BFGS: 30 16:11:36 -22.417902 29.557775
BFGS: 31 16:11:36 -27.918151 43.664991
BFGS: 32 16:11:36 -35.837889 63.728786
BFGS: 33 16:11:36 -47.867169 102.296182
BFGS: 34 16:11:36 -67.841539 169.940974
BFGS: 35 16:11:36 -103.091191 315.981463
BFGS: 36 16:11:36 -172.195649 654.336352
BFGS: 37 16:11:37 -328.569126 1604.294715
Minimization stalled after 37 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9066.238306238387 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols = ['He', 'He']
basis = [[0. 0. 0. ]
[0.5 0.5 0.5]]
cellpar = Cell([[0.3278789954458838, -6.0831810919269614e-33, -5.490252796761803e-32], [7.197650961015411e-33, 0.3278789954458863, -2.313064975859289e-17], [3.9043589297004244e-33, -2.313064975859273e-17, 0.32787899544589355]])
forces = [[0. 0. 0.]
[0. 0. 0.]]
stress = [ 9.06623831e+03 9.06623831e+03 9.06623831e+03 4.74527983e-12
-6.11493713e-31 -7.12091085e-45]
energy per atom = -164.2845628864916
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0