Model name: model_name=EAM_Dynamo_SchopfBrommerFrigan_2012_AlMnPd__MO_137572817842_000
a1: a1=[1, 0, 0]
a2: a2=[0, 1, 0]
a3: a3=[0, 0, 1]
Species: species=Al
Lattice type: short_name=fcc
Lattice constant (meters) and cohesive energy (J): a=4.210718545317654
cohesive_energy=3.6305175345031104
mass=26.981538
Min. tilt angle (degrees): theta_min=0.0
Max. tilt angle (degrees): theta_max=90.0
Max. denominator: max_denominator=8
Lattice constant (meters) and cohesive energy (J): cohesive_energy_curve=[4.43008248007536e-19, 4.779020529194219e-19, 4.93827688661382e-19, 5.029969455377639e-19, 5.09421673840104e-19, 5.14846643922828e-19, 5.20167472524342e-19, 5.25805532099388e-19, 5.31829716243228e-19, 5.38087818175632e-19, 5.44344317931402e-19, 5.50360491192072e-19, 5.55952087644732e-19, 5.609957396885639e-19, 5.6543216678811e-19, 5.6924855153029795e-19, 5.72460915681468e-19, 5.751093136574699e-19, 5.772386064040559e-19, 5.7889846139688e-19, 5.801321374050599e-19, 5.80978086667812e-19, 5.81468352717816e-19, 5.81626968204582e-19, 5.814571374813779e-19, 5.809043865426479e-19, 5.79896617439862e-19, 5.78344108281516e-19, 5.76139513233132e-19, 5.73148249457454e-19, 5.6921330364435e-19, 5.64144016774374e-19, 5.5770166452906e-19, 5.495930485843859e-19, 5.394304421949239e-19, 5.26686729248088e-19, 5.10644134611846e-19, 4.90301297889948e-19, 4.64273938470618e-19, 4.3066027268929796e-19, 3.8685516133910393e-19, 3.2931619188226195e-19, 2.5327368447935397e-19, 1.522801599198372e-19, 1.7287165445533197e-20, -1.6553368547161198e-19, -4.1953956467270398e-19, -7.860807284693219e-19, -1.338200409605526e-18, -2.2087927511650796e-18]
Min. number unit cell repetitions along x direction: x_repeat=1
Min. number unit cell repetitions along z direction: z_repeat=1
Min. cell height (Angstroms): min_cell_height=10.0
Offset grid fraction (as fraction of lattice parameter): offset_grid_frac=0.25


Isolated atom energy: -0.09604918 eV

========================================
theta = 0.0
========================================

Energy: 0.010319859334476817
Energy: -5022.591995541028
Energy: 0.08895098391903428
Energy: 0.011705176836257457
Energy: -5022.591995541028
Energy: -5021.609532555035
Energy: -5022.591995541028
Energy: -5021.728811311322
Energy: 0.08895098391813536
Energy: -5022.591995541028
Energy: 0.010319859334476817
Energy: -5022.591995541028
Energy: 0.011705176836257457
Energy: -5022.594109181998
Energy: -5022.591995541028
Energy: -5023.613491860325

minimum gb energy = -5023.613491860325 eV
minimum distance =  0.00406197136013374 Angstroms
sigma value = 1


========================================
theta = 14.250032697803595
========================================

Energy: -1245.146823415327
Energy: -3112.264462567681
Energy: 0.21448624688366777
Energy: -1418.7037510465634
Energy: -3109.057538822523
Energy: -1271.6808462631004
Energy: -2507.1317054271167
Energy: -1271.680846051083
Energy: -622.5646278747745
Energy: -3736.0166532567873
Energy: -1245.12865714986
Energy: -3736.0172945193176
Energy: -2489.2752468235803
Energy: -1246.357017570267
Energy: -2501.2195337097
Energy: -1246.3570175703849
Energy: -1245.6078472406396
Energy: -1417.9527322067715
Energy: -621.5374089068432
Energy: -1417.952732206777
Energy: -1413.13654069479
Energy: -1245.047294964776
Energy: -1269.5365527051326
Energy: -1245.0472949647874
Energy: -621.3038292557573
Energy: -1261.8549774120615
Energy: -1245.3552667456681
Energy: -1261.8549774120559
Energy: -1867.9105266979848
Energy: -1244.061393923149
Energy: -3162.6166357479824
Energy: -1244.0613939232946
Energy: -1245.067374429167
Energy: -1867.6830012145465
Energy: -662.2177619636094
Energy: -1867.683001211918
Energy: -3113.4262862270834
Energy: -620.8891771050111
Energy: -3849.302018628719
Energy: -620.8891771049998
Energy: -1245.3980328145985
Energy: -3113.713588872115
Energy: -1244.960294922751
Energy: -3113.259253264346
Energy: -6971.68460246508
Energy: -620.9149861567894
Energy: -688.9581199674107
Energy: -620.9149861567558
Energy: -1245.2423055121458
Energy: -1866.8198266629379
Energy: -1285.8534234987999
Energy: -1866.8198266664128
Energy: -1868.420428738139
Energy: -1866.6298980134338
Energy: -2490.7491092258156
Energy: -1866.6298980018557
Energy: -1245.5303367854594
Energy: -1880.4778034321064
Energy: -1244.8480742099252
Energy: -1880.4778009917939
Energy: -2490.2937564999493
Energy: -1866.18902294912
Energy: -3079.0777444648734
Energy: -1866.1890493033502
Energy: 0.2072201250086822
Energy: -3112.5703748436654
Energy: -1288.3823779181878
Energy: -3112.5703748435703
Energy: -2586.343192481554
Energy: -1874.0855483156574
Energy: -2490.259482347947
Energy: -1874.0855483155792
Energy: -1245.4864622109403
Energy: -3736.2115087002317
Energy: 0.20751568070869805
Energy: -3737.259851464298
Energy: -2473.1922952480404
Energy: -1414.749562977262
Energy: -1390.7164518285297
Energy: -1414.7495629763373
Energy: -621.3787881839852
Energy: -1415.2290255578134
Energy: -1245.7693563314479
Energy: -1415.2290255578025
Energy: -3113.0987807605293
Energy: -1246.8716632973908
Energy: -2489.752064619579
Energy: -1246.8716632973849
Energy: -1245.4116313792297
Energy: -1259.7586921844584
Energy: -621.3089626722485
Energy: -1259.7586921844697
Energy: -2510.4474345545063
Energy: -1245.0621969717372
Energy: -1867.7616491107758
Energy: -1245.0621969717483
Energy: -1868.4564056247161
Energy: -1866.7494362895623
Energy: -1245.5424760932956
Energy: -1866.749436289629
Energy: -631.3601835301475
Energy: -1867.4507327926665
Energy: -1866.5974098625572
Energy: -1867.4507329357132
Energy: -1244.7501583692615
Energy: -5786.2783161470925
Energy: -1244.4393132552625
Energy: -3407.831702925208
Energy: -2305.9737202376805
Energy: -620.5858945877208
Energy: -2213.005490698183
Energy: -620.5858945877375
Energy: -1273.5969295523537
Energy: -1866.5764772080213
Energy: -1245.2469987478003
Energy: -1866.5764772079033
Energy: -1247.8546616483877
Energy: -706.7946947836325
Energy: -1867.2731125162197
Energy: -706.7946947836381
Energy: -1244.8249726162474
Energy: -1875.368476769195
Energy: -1245.381024566355
Energy: -1875.3747614604902
Energy: -2002.93033296367
Energy: -1866.9652851447108
Energy: -2490.3825109984223
Energy: -1866.9652851442625
Energy: -2490.471757469657
Energy: -3113.233349006107
Energy: -622.3499569412767
Energy: -3113.233068716138

minimum gb energy = -6971.68460246508 eV
minimum distance =  0.00459419050383475 Angstroms
sigma value = 1


========================================
theta = 16.26020470831196
========================================

Energy: -1419.9311983978564
Energy: -2204.5757648941803
Energy: 0.22215071762413469
Energy: -1472.293013797989
Energy: -3549.8588349923148
Energy: -2838.6897073392697
Energy: -2840.101863215765
Energy: -2838.938980331925
Energy: -708.725192397466
Energy: -2840.003970429945
Energy: -1420.1457976794052
Energy: -2840.0038132899867
Energy: -2840.7069715590087
Energy: -1424.8872728682054
Energy: -2838.6289193653174
Energy: -1424.8872723999773
Energy: -1420.050388741682
Energy: -1471.4784453763475
Energy: -708.389744407775
Energy: -1471.478445376354
Energy: -1462.9424704499388
Energy: -1416.651112293622
Energy: -6875.159300377065
Energy: -1416.651112293622
Energy: -709.1796652791292
Energy: -2128.933351675019
Energy: -1419.8792673355892
Energy: -2128.9333516080605
Energy: -2129.0012205323337
Energy: -2129.7926070339245
Energy: -2114.198050348624
Energy: -2129.787815917299
Energy: -1419.67244394474
Energy: -2128.7611874705963
Energy: -1420.0035840329558
Energy: -2128.7611874720014
Energy: -765.7031993785157
Energy: -708.9619370096548
Energy: -715.7595304896581
Energy: -708.9619370094949
Energy: -1420.2438833315407
Energy: -754.9800011015857
Energy: -1419.7020203272803
Energy: -754.9800011015922
Energy: -1419.7520198742964
Energy: -708.3470829956393
Energy: -2128.173319312954
Energy: -708.3470829958181
Energy: -1419.9003173755832
Energy: -2128.9413591608545
Energy: -1419.8490079763726
Energy: -2128.9413591556595
Energy: -3549.558764143973
Energy: -1004.8992782435641
Energy: -1423.1421403465963
Energy: -1004.8992715068376
Energy: -1420.2586569045454
Energy: -2456.239291388984
Energy: 0.21435883881775614
Energy: -2724.273984292409
Energy: -2862.483653911675
Energy: -2127.927356941502
Energy: -2805.101393954911
Energy: -2127.9273562265143
Energy: -709.3568071376371
Energy: -2839.0721473347226
Energy: -1419.899413504425
Energy: -2839.072087049576
Energy: -1599.9350135825543
Energy: -2839.2239815675916
Energy: -1421.6607633729225
Energy: -2839.2239815604485
Energy: -1420.182650407351
Energy: -1469.971156879645
Energy: -709.0600802970448
Energy: -1469.971156879645
Energy: -1525.3011705263837
Energy: -1417.777944634446
Energy: -2128.730931330484
Energy: -1417.777944634446
Energy: -708.5992151877329
Energy: -2129.0970620790154
Energy: -1419.6935354374034
Energy: -2129.097062078945
Energy: -4195.070357737434
Energy: -2129.2664727562187
Energy: -2144.7640882795067
Energy: -2129.2664727562315
Energy: -1419.5687267654027
Energy: -2129.1921078676405
Energy: -1419.9117309438232
Energy: -2129.1921078599476
Energy: -2139.9519430620458
Energy: -708.0526033384899
Energy: -731.0850933424825
Energy: -708.0526033385026
Energy: -1420.1200629290836
Energy: -2129.5424918573394
Energy: -1419.3545652654511
Energy: -2129.542491836643
Energy: -1419.0145116753995
Energy: -713.7687693296277
Energy: -2306.6589395534734
Energy: -713.7687693296277
Energy: -1419.08604243772
Energy: -2128.326256701561
Energy: -1420.2681697656312
Energy: -2128.3262567020215
Energy: -2129.4955623297374
Energy: -2128.7545113423957
Energy: -2840.205800823454
Energy: -2128.7545113423957
Energy: -1420.242915909402
Energy: -2177.5694299462148
Energy: -709.2400315322944
Energy: -2177.5694299462016

minimum gb energy = -6875.159300377065 eV
minimum distance =  0.00517927880503674 Angstroms
sigma value = 25


========================================
theta = 18.924644416051233
========================================

Energy: -1650.4114847021824
Energy: -2479.245055477149
Energy: 0.23167304052503732
Energy: -1654.0416765499808
Energy: -2478.555917164121
Energy: -1653.8602271468994
Energy: -1846.0337914784875
Energy: -1653.8602271452805
Energy: -823.7739281095658
Energy: -3535.039582069449
Energy: -1650.789057236075
Energy: -3535.0395898977995
Energy: -1656.982002692587
Energy: -1652.1483335680005
Energy: -3300.7584904919154
Energy: -1652.148333568052
Energy: -1650.3787484400166
Energy: -1654.2019238344617
Energy: -824.4933924807858
Energy: -1654.2019238344694
Energy: -1659.7763916568852
Energy: -1648.9070944607815
Energy: -1799.8375310424622
Energy: -1648.9070944607815
Energy: -825.7996667813236
Energy: -2474.1851699802355
Energy: -1650.6461929973495
Energy: -2474.1851699801387
Energy: -2474.1851699801387
Energy: -822.9347308249613
Energy: -2476.5206741117113
Energy: -822.9347308249613
Energy: -1649.8807893756373
Energy: -1649.8807893756373
Energy: -1650.3349409075888
Energy: -1650.3349409075888
Energy: -3126.946709525714
Energy: -823.5250971388447
Energy: -2475.904694438308
Energy: -823.5250971388522
Energy: -1652.9376133664787
Energy: -981.6347849803086
Energy: -1649.5908909318584
Energy: -981.6347849803086
Energy: -1650.8866287140531
Energy: -2475.3175075161344
Energy: -2474.621821294228
Energy: -2475.317461445103
Energy: 0.2227598244266738
Energy: -2478.6186432290924
Energy: -1650.0679409739596
Energy: -2478.618643229085
Energy: -2196.4359093976745
Energy: -2474.6747781486574
Energy: -1669.8636963418105
Energy: -2474.6747781136196
Energy: -1650.7885301754325
Energy: -1820.0764535685998
Energy: -823.9737753034467
Energy: -1820.0764535689636
Energy: -1649.8485639205257
Energy: -1655.9113306111012
Energy: -1650.1010673681699
Energy: -1655.9113306110942
Energy: -824.4084020092071
Energy: -1653.37050965302
Energy: -1650.6253672202367
Energy: -1653.37050965302
Energy: -2476.5228334667177
Energy: -1649.7949679981102
Energy: -1665.0050330029906
Energy: -1649.7949679980734
Energy: -1650.6294950050917
Energy: -2476.037490624685
Energy: -824.5255730371061
Energy: -2476.0374906719862
Energy: -2475.549118141289
Energy: -842.5093581010343
Energy: -824.6472009847026
Energy: -842.5093581010416
Energy: -1651.358103078591
Energy: -2581.888534405052
Energy: -1649.7179805236453
Energy: -2581.8885329635204
Energy: -1650.490457798039
Energy: -823.2250862631764
Energy: -851.3025329098898
Energy: -823.2250862630575
Energy: -1649.9964252323844
Energy: -2475.9366958167025
Energy: -1651.8682008466365
Energy: -2475.9366965771374
Energy: -2474.876321776397
Energy: -2439.836383855001
Energy: -1649.2995962081775
Energy: -2447.8160071025686
Energy: -1651.4801688966295
Energy: -2476.8957991399434
Energy: -824.2097128749378
Energy: -2476.895799136059

minimum gb energy = -3535.0395898977995 eV
minimum distance =  0.00110056207171181 Angstroms
sigma value = 9


========================================
theta = 22.619864948040426
========================================

Energy: -1970.564754966056
Energy: -2952.9612237269416
Energy: 0.2389328831958194
Energy: -1969.178385739749
Energy: -2952.5793832925674
Energy: -1988.6030592457366
Energy: -2009.1951226916178
Energy: -1988.6030592458783
Energy: -983.5399225518834
Energy: -1997.1519318999585
Energy: -1969.7528246212435
Energy: -1997.1519318999494
Energy: -1968.5376231821685
Energy: -1965.9998231381371
Energy: -1989.3294837395767
Energy: -1965.9998231379423
Energy: -1970.4528144259996
Energy: -1986.7793861844734
Energy: -983.5697879317318
Energy: -1986.7793861905163
Energy: -2952.8742492959886
Energy: -2953.517933975094
Energy: -2953.4857998720895
Energy: -2953.5179339746865
Energy: -1970.311138682161
Energy: -1970.311138682161
Energy: -1969.296645893786
Energy: -1969.296645893786
Energy: -982.333969890065
Energy: -982.9889050255391
Energy: -996.4510247253978
Energy: -982.9889050254595
Energy: -1968.9761301580397
Energy: -1006.3333569168568
Energy: -1969.9798883963958
Energy: -1006.3333569168568
Energy: -2952.8854212098877
Energy: -995.8938430993858
Energy: -1968.7868470688031
Energy: -995.8938431004489
Energy: -1970.5715688538164
Energy: -2953.147684076797
Energy: 0.23370333636978582
Energy: -2953.1476840657124
Energy: -1968.163543885471
Energy: -2950.479731874649
Energy: -1972.673991935521
Energy: -2950.479617949079
Energy: -983.5149235511778
Energy: -3938.025341643302
Energy: -1969.9011000116216
Energy: -3938.025372263079
Energy: -1976.4067615272502
Energy: -1968.2410384972288
Energy: -1968.7519173760645
Energy: -1968.2410384968305
Energy: -1970.4044712432378
Energy: -1973.582357837337
Energy: -983.2599278053113
Energy: -1973.5823578394547
Energy: -2954.7073483485156
Energy: -2199.4502151565007
Energy: -2199.4502151565007
Energy: -2199.4502151563943
Energy: -1970.4177291530111
Energy: -3013.8988792158557
Energy: -1969.144824992565
Energy: -3013.8988792156692
Energy: -1970.159699687707
Energy: -982.6149053711383
Energy: -2954.740749970134
Energy: -982.6149053706155
Energy: -1970.946574930728
Energy: -995.3099527742348
Energy: -1969.1838226877467
Energy: -995.3099527742262
Energy: -2952.9081692229206
Energy: -987.8179037951583
Energy: -1969.8743696810172
Energy: -987.8179037951671
Energy: -1970.3375707019266
Energy: -2952.511694198884
Energy: -982.8680501668438
Energy: -2952.5116941989104

minimum gb energy = -3938.025372263079 eV
minimum distance =  0.00527676053532798 Angstroms
sigma value = 25


========================================
theta = 28.072486935852957
========================================

Energy: 0.21903747734715684
Energy: -3578.60572760535
Energy: 0.2452003640456986
Energy: -2436.32872797837
Energy: -3652.47040039958
Energy: -4875.422655439721
Energy: -4869.320615405118
Energy: -4873.747205145002
Energy: -1216.0526927365593
Energy: -2434.128056800041
Energy: -2435.7392906227356
Energy: -2434.128056800041
Energy: -3653.0531145269633
Energy: -2433.3770543310648
Energy: -2434.685552039461
Energy: -2433.3770543350206
Energy: 0.2114939292129951
Energy: -3652.9367160272477
Energy: -1217.2590246739333
Energy: -3652.936716027237
Energy: -3652.401474830391
Energy: -1215.0268349858918
Energy: -3652.8403434793527
Energy: -1215.0268349858918
Energy: -2437.1297247038074
Energy: -1215.149449640576
Energy: -2434.525853156162
Energy: -1215.149449640576
Energy: -2436.4476650535826
Energy: -1215.953876075341
Energy: -3652.3883547078517
Energy: -1215.9538760752534
Energy: 0.24374851822521526
Energy: -3581.566192915787
Energy: -2436.261244967686
Energy: -3583.506824651061
Energy: -2433.851802183198
Energy: -1246.962059554063
Energy: -2435.737552410021
Energy: -1246.9620595539204
Energy: -2437.0144961867973
Energy: -2434.8451096219933
Energy: -1215.9048997944635
Energy: -2434.845109624656
Energy: -2436.9394699024347
Energy: -2434.0667302052575
Energy: -3653.8615594245844
Energy: -2434.066730205323
Energy: -1216.6933902902658
Energy: -3604.276546522119
Energy: 0.21125709589213454
Energy: -3604.2765458960907
Energy: -1215.486609840251
Energy: -3652.1482217287175
Energy: -2442.921040236697
Energy: -3652.1482217287944
Energy: -2437.9826671782603
Energy: -1215.3883809947913
Energy: -2435.1627286526914
Energy: -1215.3883809948024
Energy: -1215.906335880583
Energy: -1216.0056599912068
Energy: -2436.454770895816
Energy: -1216.0056599912068
Energy: -2434.760263046575
Energy: -1343.1575078772971
Energy: -1215.8929653846008
Energy: -1343.1575078772971

minimum gb energy = -4875.422655439721 eV
minimum distance =  0.00384994281551213 Angstroms
sigma value = 17


========================================
theta = 31.890791801845708
========================================

Energy: -1381.7082665439514
Energy: -2387.111968226628
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Energy: -1379.83709091649
Energy: -2113.801302944397
Energy: -2113.801302944397
Energy: -2069.624845821661
Energy: -2159.068464155286
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Energy: -1378.2060760338534
Energy: -752.1606163569949
Energy: -1381.1402586723925
Energy: -752.1606163569887
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Energy: -2067.95685470683
Energy: -1378.0581311452618
Energy: -2066.2841818189263
Energy: -1381.5285801468453
Energy: -2193.0655885365436
Energy: 0.26836074326295234
Energy: -2193.0655885219844

minimum gb energy = -4138.993375447637 eV
minimum distance =  0.00358567646267516 Angstroms
sigma value = 53


========================================
theta = 36.86989764584402
========================================

Energy: -3175.675667500819
Energy: -4695.159074980421
Energy: 0.23125771596617786
Energy: -3176.3087078244052
Energy: -1597.1217971316999
Energy: -3174.891497769719
Energy: -3174.2453428698896
Energy: -3174.891497765404
Energy: -1586.2721613255167
Energy: -3176.031230713033
Energy: 0.23476419073103344
Energy: -3176.031230713033
Energy: -4763.214402171883
Energy: -4762.547424238407
Energy: -3594.8648565217063
Energy: -4762.547423773165
Energy: -3174.6787920819274
Energy: -1603.1325060862569
Energy: 0.17615864924416472
Energy: -1603.1325060861855
Energy: -1585.4333530333945
Energy: -1587.1327303764615
Energy: 0.17493997777980566
Energy: -1587.1327303764326
Energy: -3177.5629454158734
Energy: -1592.1725724388905
Energy: -1586.6426993775597
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Energy: -3176.4583147601106
Energy: -4764.324111095841
Energy: -3175.838393827952
Energy: -4762.427020962051
Energy: -1586.6998837616616
Energy: -3174.8391404626223
Energy: 0.23380704568024005
Energy: -3174.8391404625654
Energy: -4763.020061271424
Energy: -3209.3802859406396
Energy: -3176.471974095708
Energy: -3209.3802859406105
Energy: -3174.84197745218
Energy: -4695.708002262877
Energy: 0.1750523327108178
Energy: -4699.548380524312
Energy: -3173.9629441574198
Energy: -1586.5061416345231
Energy: 0.17711436693786903
Energy: -1586.5061416345231
Energy: -3176.509900841515
Energy: -1651.636229153068
Energy: -1587.142484246235
Energy: -1651.6362291602547

minimum gb energy = -4764.324111095841 eV
minimum distance =  0.00507108663397851 Angstroms
sigma value = 9


========================================
theta = 41.112090439166934
========================================

Energy: -1175.2860681370153
Energy: -3368.8089966891825
Energy: 0.27628369857292995
Energy: -2351.393876389048
Energy: -2937.5568355870078
Energy: -2352.1080642769725
Energy: -1254.1863329873581
Energy: -2352.1080642727525
Energy: -586.6096388655334
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Energy: -1761.2608954134412
Energy: -2349.1050023339412
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Energy: -1762.2535736553289
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Energy: -591.6928955689926
Energy: -1762.2486582177164
Energy: -1533.500060225285
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Energy: -1174.223325417757
Energy: -1762.0883346762994
Energy: -1762.0883346762994
Energy: -1761.4804123404265
Energy: -2349.2158421720465
Energy: -1761.4804123302204
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Energy: -2532.5366080024287
Energy: -1298.8860997977365
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Energy: -1174.4043752286714
Energy: -2354.8427843810828
Energy: -1174.9964629849521
Energy: -1174.0199661431598
Energy: -1844.3936751834513
Energy: -1174.0199661431598
Energy: -1188.9440927909322
Energy: -1761.7485285449475
Energy: -1175.2567703260813
Energy: -1761.7485285839057
Energy: -2349.0288069247567
Energy: -1761.3173886928519
Energy: -1761.3173886928519
Energy: -1761.317388691371
Energy: -2350.5809811954823
Energy: -2935.534858399298
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Energy: -2935.5368007869715
Energy: -1768.3942529137437
Energy: -1326.2976217019839
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Energy: -1175.3450997785146
Energy: -1367.7735910667213
Energy: -1234.4918898032308
Energy: -1173.0915967456344
Energy: -2350.945500133203
Energy: -1173.091596745624
Energy: -1174.826115803108
Energy: -3848.7013021705343
Energy: -2350.3752776548768
Energy: -3848.6445022334287
Energy: -2052.4695195010736
Energy: -1760.8167529467305
Energy: -1173.9179156168857
Energy: -1760.816751738415
Energy: -1174.4148122896643
Energy: -2937.487841511384
Energy: 0.27579974267172774
Energy: -2937.4878410971073

minimum gb energy = -3934.433729734465 eV
minimum distance =  0.00501333249831906 Angstroms
sigma value = 73


========================================
theta = 43.60281897270362
========================================

Energy: -1865.2975177303354
Energy: -2331.0953448314285
Energy: 0.24828332560110006
Energy: -1864.7407449887312
Energy: -2330.0577743075464
Energy: -3262.210079361275
Energy: -1396.557376898105
Energy: -3262.210079491901
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Energy: -1864.339574435008
Energy: -1864.6453965875835
Energy: -1864.0587975911342
Energy: -467.9327532059539
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Energy: -1397.7277039748876
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Energy: -1863.9741687605504
Energy: -490.8437282939386
Energy: -1396.9967606536954
Energy: -480.4380317058054
Energy: -1863.984126591162
Energy: -480.4380317058054
Energy: -1864.147699159159
Energy: -1439.2196290924992
Energy: -464.79144038664396
Energy: -1439.2196290924992
Energy: -1864.23214354446
Energy: -1410.8372772670534
Energy: -1838.463785985497
Energy: -1410.837277121543
Energy: -464.2685564268838
Energy: -1864.8267304855833
Energy: -1398.1175195031715
Energy: -1864.8267304860617
Energy: -1864.415778752256
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Energy: -1397.9347294339364
Energy: -464.3773100333268
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Energy: -2330.3241320641305
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Energy: -2330.3241320642724
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Energy: -1864.572009870426
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Energy: -1864.7099644899765
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Energy: -3731.335838072972
Energy: -1398.1404232030866
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Energy: -1398.1404232251193
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Energy: -512.8700160727167
Energy: -1398.849205823718
Energy: -512.8700160727184
Energy: -1864.3879117175327
Energy: -1857.1902731145983
Energy: -1434.5492880488575
Energy: -1848.5377272683113
Energy: -465.40901553186563
Energy: -1453.9020949445135
Energy: -1863.8766898247713
Energy: -1453.9020949445135
Energy: -1864.8809398510277
Energy: -1396.4164667300342
Energy: -1864.124389235794
Energy: -1396.4164666877898
Energy: -1397.3543802596487
Energy: -1863.054018878124
Energy: -468.4381517228735
Energy: -1863.0540197736466
Energy: -2624.525851359169
Energy: -464.79275369218954
Energy: -1864.3705462746454
Energy: -464.79275369250837
Energy: -1864.681598742423
Energy: -2329.9325584986154
Energy: -464.72535109684526
Energy: -2329.932558496677

minimum gb energy = -3731.335838072972 eV
minimum distance =  0.0052348214352935 Angstroms
sigma value = 7


========================================
theta = 46.39718102729638
========================================

Energy: -1501.041921983251
Energy: -3297.3856042103034
Energy: 0.25087822228770107
Energy: -2636.403088669621
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Energy: -2634.9286786305042
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Energy: -1332.35762262607
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Energy: -3257.10324912396
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Energy: -1318.8456874655114
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Energy: -1317.91385819285
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Energy: -1321.9282526238076
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Energy: -2813.0362972849734
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Energy: -1326.322132788688
Energy: -3255.036476097222
Energy: 0.25647028299307706
Energy: -3258.2369247095153
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Energy: -1317.7941890037541
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Energy: -1320.769190172073
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Energy: -1320.769190172073
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Energy: -1976.4890393921942
Energy: -1537.5033432029397
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Energy: -1376.9155879227167
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Energy: -1376.9155879227228
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Energy: -1976.9728750005556
Energy: -1976.7959565358221
Energy: -1976.9728750053494
Energy: -2634.5543603048286
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Energy: -1318.2504969491238
Energy: -1980.5075032778675
Energy: -1317.1904745199386
Energy: -2019.629512258981
Energy: -2639.6433458499723
Energy: -2019.6295122901395
Energy: -658.8233919423191
Energy: -2639.730382046798
Energy: -1317.4373463396926
Energy: -2639.730382046809
Energy: -2100.3050682283374
Energy: -1361.0394185677803
Energy: -2639.2080187168895
Energy: -1361.0394185677922
Energy: -1327.3573861360862
Energy: -1976.1593218770502
Energy: -1965.6442315301208
Energy: -1976.1593218767534
Energy: -2628.30276503653
Energy: -657.7387112502889
Energy: -1318.5070580479387
Energy: -657.738711249826
Energy: -1320.8053848643026
Energy: -2262.6768495135098
Energy: -657.847117311531
Energy: -2249.1952349199023

minimum gb energy = -3297.3856042103034 eV
minimum distance =  0.00283868048899986 Angstroms
sigma value = 29


========================================
theta = 53.13010235415598
========================================

Energy: 0.19528375543718207
Energy: -2245.240105911896
Energy: 0.22924427433657327
Energy: 0.18776592259437538
Energy: -2245.7020443177153
Energy: -4492.428847100275
Energy: -4489.214425644708
Energy: -4492.428847043252
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Energy: -6735.524778052181
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Energy: 0.20626562809194143
Energy: -2243.5258076253917
Energy: -4929.226834353307
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Energy: -2243.815533916925
Energy: -2245.7180660542904
Energy: 0.2003036525291759
Energy: -2245.7180660542904
Energy: -4492.167895266036
Energy: -2244.8710378137816
Energy: 0.1988701785991403
Energy: -2244.8710378137816
Energy: 0.19793298944362805
Energy: -4491.995779367887
Energy: -2241.4308505474896
Energy: -4491.99577937009
Energy: -4490.941844449912
Energy: -6740.569301071329
Energy: 0.2050093748802145
Energy: -6740.569503068959
Energy: 0.1958132382120098
Energy: -2243.8456567894405
Energy: -2244.163622999647
Energy: -2243.845656789461

minimum gb energy = -6740.569503068959 eV
minimum distance =  0.00512013854101779 Angstroms
sigma value = 5


========================================
theta = 59.48976259388444
========================================

Energy: -1245.0917783080586
Energy: -2780.9066489004313
Energy: 0.2431114275411347
Energy: -2490.037764522647
Energy: -2132.395072430015
Energy: -2164.8708039098965
Energy: -852.5165815066047
Energy: -2164.831419623046
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Energy: -1243.790187825073
Energy: -1114.822410834739
Energy: -1243.7901878250786
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Energy: -317.70969506406647
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Energy: -2181.2416083673124
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Energy: -2180.9067612242147
Energy: -1245.3368206831153
Energy: -2180.9067656844995
Energy: -1244.338276946303
Energy: -1061.2476322385942
Energy: -4680.81114969225
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Energy: -2111.120047454465
Energy: 0.24230816904396651
Energy: -2111.1120306562484

minimum gb energy = -4680.81114969225 eV
minimum distance =  0.00334165732868122 Angstroms
sigma value = 1


========================================
theta = 61.92751306414704
========================================

Energy: -1722.774688839716
Energy: -2749.4813693917395
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minimum gb energy = -4305.2345245181095 eV
minimum distance =  0.00381926048187052 Angstroms
sigma value = 17


========================================
theta = 64.01076641616699
========================================

Energy: -1064.9804696370468
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minimum gb energy = -4964.820661717577 eV
minimum distance =  0.00493558492504174 Angstroms
sigma value = 89


========================================
theta = 67.38013505195957
========================================

Energy: -2785.073116192759
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Energy: -1428.7650405189434
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minimum gb energy = -4179.505146643375 eV
minimum distance =  0.00323716591150011 Angstroms
sigma value = 13


========================================
theta = 71.07535558394876
========================================

Energy: -1166.6966313877906
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minimum gb energy = -3501.7978169448597 eV
minimum distance =  0.00497218345284214 Angstroms
sigma value = 37


========================================
theta = 73.73979529168804
========================================

Energy: -2009.6776381068757
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Energy: -2963.6145733759786
Energy: 0.19776545191319572
Energy: -3011.2543391680133
Energy: -2009.6776381069299
Energy: -3011.2543391679687
Energy: -2020.8777820892547
Energy: -1043.8284224541355
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Energy: -1043.8284224541449
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Energy: -1025.5488942780094
Energy: -2007.8429952247877
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Energy: -2008.6547504483785
Energy: -1020.948175916414
Energy: -2008.6473453644703
Energy: -1020.948175916414
Energy: -2008.3989558381625
Energy: -2019.6173148806702
Energy: -3012.1737815635233
Energy: -2019.6173148806793
Energy: -1505.12000556106
Energy: -3013.3980522435977
Energy: -1012.5838611013288
Energy: -3013.3980522435886
Energy: -2008.9627760739515
Energy: -1026.2584748456577
Energy: -2008.1620562785363
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Energy: -2008.7102046835082
Energy: -2026.4710325226933
Energy: -1003.486866303803
Energy: -2026.4710325226933
Energy: -2008.1585029038256
Energy: -2019.4469105316568
Energy: -1001.995341439247
Energy: -2019.446910529154
Energy: -3011.6960997502056
Energy: -2967.04013698209
Energy: -2967.04013698209
Energy: -2953.3746611787014

minimum gb energy = -3013.3980522436245 eV
minimum distance =  0.00363826536755636 Angstroms
sigma value = 25


========================================
theta = 77.31961650818018
========================================

Energy: -1568.7914070130105
Energy: -2363.788424953632
Energy: 0.20369684379397363
Energy: -1579.8880687300589
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Energy: -1569.3304391483885
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Energy: -1567.6962707048408
Energy: -2351.2364499968817
Energy: -804.6849016507883
Energy: -2351.236449994751

minimum gb energy = -3138.1512550154084 eV
minimum distance =  0.00510289936791591 Angstroms
sigma value = 41


========================================
theta = 79.61114218453038
========================================

Energy: -2571.2669476014044
Energy: -2520.3445147103453
Energy: 0.19716066596728796
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Energy: -1296.808901768478
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Energy: -1474.2270235719475
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Energy: -1285.4396359999214
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Energy: -3213.657849511361
Energy: 0.18225061649274613
Energy: -3213.6578231452436

minimum gb energy = -3214.362114831593 eV
minimum distance =  0.00496073391821555 Angstroms
sigma value = 15


========================================
theta = 81.20258929000894
========================================

Energy: -1088.9676646567077
Energy: -2728.021869045731
Energy: 0.19260899136411927
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Energy: -1119.6299233525322
Energy: -1689.3685430248304
Energy: -1632.552835831667
Energy: -1689.3685430248547

minimum gb energy = -3811.4976505399723 eV
minimum distance =  0.00379864766900867 Angstroms
sigma value = 85


========================================
theta = 82.3718503314193
========================================

Energy: -1888.9315922028516
Energy: -3320.636372658212
Energy: 0.17951231042063057
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Energy: -953.9221284386196
Energy: -2153.8622773363563
Energy: -365.8907683606979
Energy: -2153.862277336403

minimum gb energy = -3320.636372658212 eV
minimum distance =  0.0050610568276776 Angstroms
sigma value = 113


========================================
theta = 90.0
========================================

Energy: 0.011675588019382068
Energy: -3551.172800069447
Energy: 0.2375055447000433
Energy: 0.012070826256453327
Energy: -3552.540640456348
Energy: -3546.64954829812
Energy: -10650.442867118638
Energy: -3546.64954829812
Energy: 0.011893125657252776
Energy: -3549.9753520118825
Energy: -10655.874394198723
Energy: -3549.9753520118825
Energy: 0.012629831405294877
Energy: -3551.163123121065
Energy: 0.2382139732841562
Energy: -3551.163123121065
Energy: -3552.324183494332
Energy: -3548.9428590554744
Energy: -10658.391026621935
Energy: -3548.942859055602
Energy: 0.012082051509902658
Energy: -3550.6261388137987
Energy: -10658.825547716839
Energy: -3550.6261388137987

minimum gb energy = -10658.825547716839 eV
minimum distance =  0.00335878245983681 Angstroms
sigma value = 1