element(s):
['Mg']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.2446']
model name:
MEAM_LAMMPS_KimJeonLee_2015_MgCa__MO_611309973581_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Mg']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.2446, 0, 0], [0, 4.2446, 0], [0, 0, 4.2446]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:17:39       12.638132        16.906385
BFGS:    1 15:17:39       10.230470        15.221097
BFGS:    2 15:17:39        8.064514        13.681605
BFGS:    3 15:17:39        6.119290        12.276110
BFGS:    4 15:17:39        4.375527        10.993724
BFGS:    5 15:17:39        2.815521         9.824403
BFGS:    6 15:17:39        1.423017         8.758886
BFGS:    7 15:17:39        0.183094         7.788634
BFGS:    8 15:17:39       -0.917942         6.905779
BFGS:    9 15:17:39       -1.892647         6.103069
BFGS:   10 15:17:39       -2.752535         5.373824
BFGS:   11 15:17:39       -3.508159         4.711892
BFGS:   12 15:17:39       -4.169184         4.111610
BFGS:   13 15:17:39       -4.744463         3.567766
BFGS:   14 15:17:39       -5.242095         3.075563
BFGS:   15 15:17:39       -5.669493         2.630592
BFGS:   16 15:17:39       -6.033431         2.228796
BFGS:   17 15:17:39       -6.340103         1.866448
BFGS:   18 15:17:39       -6.595166         1.540122
BFGS:   19 15:17:40       -6.803784         1.246672
BFGS:   20 15:17:40       -6.970667         0.983207
BFGS:   21 15:17:40       -7.100112         0.747077
BFGS:   22 15:17:40       -7.196035         0.535848
BFGS:   23 15:17:40       -7.262000         0.347289
BFGS:   24 15:17:40       -7.301252         0.179352
BFGS:   25 15:17:40       -7.316743         0.030164
BFGS:   26 15:17:40       -7.317230         0.002123
BFGS:   27 15:17:40       -7.317233         0.000028
BFGS:   28 15:17:40       -7.317233         0.000000
BFGS:   29 15:17:40       -7.317233         0.000000
Minimization converged after 29 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0105997024599646e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.47077538e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.37995489e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.582588127721506, -2.515812659438586e-32, 9.311762739488647e-33], [-3.1361682934532064e-32, 5.582588127721506, -1.3280282460917799e-17], [-1.4664755859652406e-32, -1.3280282460917765e-17, 5.582588127721506]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.01059970e-14 -1.01059970e-14 -1.01059970e-14 -1.01862618e-31
 -1.64792728e-35 -2.71957369e-52]
energy per atom =  -1.8293082219429653
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0