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 17:10:29      -17.626623         1.884528
BFGS:    1 17:10:29      -17.778801         1.883698
BFGS:    2 17:10:29      -18.061094         1.879659
BFGS:    3 17:10:29      -18.342523         1.872105
BFGS:    4 17:10:29      -18.623656         1.873135
BFGS:    5 17:10:29      -18.903537         1.857871
BFGS:    6 17:10:29      -19.181016         1.839604
BFGS:    7 17:10:29      -19.455157         1.814732
BFGS:    8 17:10:29      -19.725160         1.784348
BFGS:    9 17:10:30      -19.990160         1.747948
BFGS:   10 17:10:30      -20.249216         1.704983
BFGS:   11 17:10:30      -20.501298         1.654861
BFGS:   12 17:10:30      -20.745284         1.596941
BFGS:   13 17:10:30      -20.979955         1.530528
BFGS:   14 17:10:30      -21.203981         1.454873
BFGS:   15 17:10:30      -21.415914         1.369161
BFGS:   16 17:10:30      -21.614183         1.272515
BFGS:   17 17:10:30      -21.797075         1.163980
BFGS:   18 17:10:30      -21.962907         1.043883
BFGS:   19 17:10:30      -22.109514         0.908440
BFGS:   20 17:10:30      -22.234678         0.757758
BFGS:   21 17:10:30      -22.337763         0.607076
BFGS:   22 17:10:30      -22.415209         0.422419
BFGS:   23 17:10:30      -22.463515         0.218286
BFGS:   24 17:10:30      -22.479638         0.006985
BFGS:   25 17:10:30      -22.479653         0.000335
BFGS:   26 17:10:30      -22.479653         0.000000
BFGS:   27 17:10:30      -22.479653         0.000000
Minimization converged after 27 steps.
Maximum force component: 4.075322415251413e-30 eV/Angstrom
Maximum stress component: 1.5325834279641402e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Mg', 'Sn', 'Sn', 'Sn', 'Sn']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   1.   1.  ]
 [0.   0.5  0.5 ]
 [0.5  1.   0.5 ]
 [0.5  0.5  1.  ]]
cellpar =  Cell([[6.160796906315939, -6.418144723177685e-32, 1.7877478496552462e-32], [-3.5308055228054944e-32, 6.160796906315939, -5.7109946574485126e-18], [-2.8089067778569943e-32, -5.7109946574484656e-18, 6.160796906315939]])
forces =  [[ 8.10001971e-31 -2.63250640e-30  3.15457799e-30]
 [-1.78611763e-30  5.45802109e-31 -1.12324492e-30]
 [ 1.41433938e-30 -2.65781897e-30 -3.44250838e-30]
 [-1.24031552e-30  1.39851903e-30 -2.75906921e-30]
 [ 6.83439163e-31 -1.59469138e-30  4.05000985e-31]
 [-7.30900216e-31  3.70670824e-30 -4.07532242e-30]
 [-1.11375271e-30  4.01204101e-30  3.89071869e-30]
 [ 1.00291138e-30 -1.49344113e-30  3.66837015e-30]
 [ 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 =  [-1.53258343e-12 -1.53258343e-12 -1.53258343e-12 -5.19703626e-29
  4.87122213e-34  2.21540421e-50]
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