element(s):
['Mg', 'Sn']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.8298']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg', 'Sn']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[6.8298, 0, 0], [0, 6.8298, 0], [0, 0, 6.8298]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 20:21:37      -17.626623        1.8845
BFGS:    1 20:21:37      -17.778801        1.8837
BFGS:    2 20:21:37      -18.061094        1.8797
BFGS:    3 20:21:37      -18.342523        1.8721
BFGS:    4 20:21:37      -18.623656        1.8731
BFGS:    5 20:21:37      -18.903537        1.8579
BFGS:    6 20:21:37      -19.181016        1.8396
BFGS:    7 20:21:37      -19.455157        1.8147
BFGS:    8 20:21:37      -19.725160        1.7843
BFGS:    9 20:21:37      -19.990160        1.7479
BFGS:   10 20:21:37      -20.249216        1.7050
BFGS:   11 20:21:37      -20.501298        1.6549
BFGS:   12 20:21:37      -20.745284        1.5969
BFGS:   13 20:21:37      -20.979955        1.5305
BFGS:   14 20:21:38      -21.203981        1.4549
BFGS:   15 20:21:38      -21.415914        1.3692
BFGS:   16 20:21:38      -21.614183        1.2725
BFGS:   17 20:21:38      -21.797075        1.1640
BFGS:   18 20:21:38      -21.962907        1.0439
BFGS:   19 20:21:38      -22.109514        0.9084
BFGS:   20 20:21:38      -22.234678        0.7578
BFGS:   21 20:21:38      -22.337763        0.6071
BFGS:   22 20:21:38      -22.415209        0.4224
BFGS:   23 20:21:38      -22.463515        0.2183
BFGS:   24 20:21:38      -22.479638        0.0070
BFGS:   25 20:21:38      -22.479653        0.0003
BFGS:   26 20:21:38      -22.479653        0.0000
BFGS:   27 20:21:38      -22.479653        0.0000
Minimization converged after 27 steps.
Maximum force component: 1.4839489229448084e-30 eV/Angstrom
Maximum stress component: 1.532089501473819e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Sn', 'Sn', 'Sn', 'Sn']
basis =  [[2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [4.93212441e-64 1.00000000e+00 1.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.00000000e+00]]
cellpar =  Cell([[6.16079690631594, 2.3918620973723235e-32, -2.5496797914992842e-33], [3.647099283142101e-32, 6.16079690631594, -2.4480963900543113e-17], [1.6045378464124616e-33, -2.4480963900543064e-17, 6.16079690631594]])
forces =  [[-5.06251232e-32  1.26562808e-31  1.48394892e-30]
 [-2.00770142e-31 -2.10410668e-31 -4.69864424e-31]
 [ 3.16407020e-33  1.89844212e-31 -4.93594951e-31]
 [-2.02500493e-31 -1.32890948e-31  4.55626109e-31]
 [ 4.55626109e-31  2.53125616e-31  2.40469335e-31]
 [-1.83170001e-31  2.97422599e-31 -1.07578387e-30]
 [-2.15156773e-31  2.51148072e-31  2.63408844e-31]
 [ 4.08956073e-31  1.64531650e-31 -8.10792988e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.53208950e-12 -1.53208950e-12 -1.53208950e-12 -1.20261272e-29
  7.57745665e-34  1.24005232e-51]
energy per atom =  -1.8733044563346466
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0