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 17:03:09       -2.155095        0.6436
BFGS:    1 17:03:09       -2.172814        0.6413
BFGS:    2 17:03:09       -2.267637        0.6206
BFGS:    3 17:03:09       -2.358165        0.5833
BFGS:    4 17:03:09       -2.441687        0.5263
BFGS:    5 17:03:09       -2.514529        0.4397
BFGS:    6 17:03:09       -2.571816        0.3174
BFGS:    7 17:03:09       -2.607919        0.1558
BFGS:    8 17:03:09       -2.615559        0.0603
BFGS:    9 17:03:09       -2.616633        0.0062
BFGS:   10 17:03:09       -2.616645        0.0002
BFGS:   11 17:03:09       -2.616645        0.0000
BFGS:   12 17:03:09       -2.616645        0.0000
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