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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 15:17:21       -2.155095         0.643551
BFGS:    1 15:17:21       -2.172814         0.641253
BFGS:    2 15:17:21       -2.267637         0.620615
BFGS:    3 15:17:21       -2.358165         0.583270
BFGS:    4 15:17:21       -2.441687         0.526298
BFGS:    5 15:17:21       -2.514529         0.439695
BFGS:    6 15:17:21       -2.571816         0.317439
BFGS:    7 15:17:21       -2.607919         0.155833
BFGS:    8 15:17:21       -2.615559         0.060273
BFGS:    9 15:17:21       -2.616633         0.006184
BFGS:   10 15:17:21       -2.616645         0.000214
BFGS:   11 15:17:21       -2.616645         0.000001
BFGS:   12 15:17:21       -2.616645         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.404112754459253e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.97280045e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.97280045e-34]]
cellpar =  Cell([[3.878231425086997, 9.032327420752011e-33, -7.307995906347574e-34], [8.671528707790363e-33, 3.878231425086997, -6.574417024691269e-18], [4.7282205395905835e-33, -6.5744170246912774e-18, 3.878231425086997]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.40411275e-12  6.40411275e-12  6.40411275e-12 -9.63731018e-29
 -3.41461525e-35 -5.93810427e-52]
energy per atom =  -0.6541611456274093
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0