Energy of Formation : Interfaces: (Hf3Al
1
10.342193 0.192355 -0.036919
-0.143938 14.960649 -0.083137
-0.141801 -0.229598 40.939040
Hf Al Zr O Ti N
36 36 72 288 72 72
Direct configuration= 1
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Energy of Formation : Interfaces: (Hf3Al
1
10.287197 0.216731 -0.042137
-0.106881 14.905085 -0.095983
-0.161906 -0.264939 40.849761
Hf Al Zr O Ti N
36 36 72 288 72 72
Direct configuration= 2
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0.02125528 0.97258888 0.27394529
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0.37505464 0.62523102 0.97345153
0.56937782 0.65243791 0.02656356
0.59234813 0.51621713 0.07510334
0.78606130 0.54253970 0.92375193
0.59761840 0.51377873 0.97349982
0.79207765 0.54177834 0.02650130
0.81867638 0.40315537 0.07654184
0.81954504 0.40270787 0.97340273
0.32080991 0.90344300 0.07752473
0.51423780 0.93118478 0.92440260
0.31905643 0.90274135 0.97352040
0.51378439 0.93029760 0.02669576
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0.73337299 0.81904111 0.92178868
0.54202132 0.79154458 0.97341513
0.73638472 0.81946526 0.02633787
0.76234912 0.68030930 0.07715905
0.95713217 0.70869172 0.92134229
0.76425039 0.68055197 0.97340821
0.95865027 0.70813844 0.02625725
0.98621312 0.56966022 0.07900498
0.98633826 0.56951807 0.97357966
0.70809072 0.95946287 0.07750732
0.90144970 0.98694427 0.92234850
0.70873396 0.95816990 0.97350363
0.90298252 0.98598266 0.02621925
0.93024394 0.84754770 0.07831400
0.93074399 0.84715193 0.97400006
Energy of Formation : Interfaces: (Hf3Al
1
10.291733 0.214721 -0.041706
-0.109937 14.909667 -0.094924
-0.160248 -0.262024 40.857124
Hf Al Zr O Ti N
36 36 72 288 72 72
Direct configuration= 3
0.01944790 0.86303672 0.78140584
0.02317760 0.91972065 0.15036235
0.02130662 0.97258427 0.27392606
0.02120804 0.69448667 0.40127468
0.02125112 0.75006714 0.52864369
0.02137688 0.80564103 0.65603908
0.51941146 0.86301290 0.78134910
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0.52120740 0.69448786 0.40127435
0.52125174 0.75006484 0.52864365
0.52138778 0.80563921 0.65604078
0.01933283 0.52957104 0.78145721
0.02243890 0.58590635 0.14975789
0.02130526 0.63926069 0.27394142
0.02121264 0.36115906 0.40127370
0.02123998 0.41672967 0.52864304
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0.76305615 0.15573650 0.28649328
0.76297725 0.21145735 0.41384626
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0.76298060 0.32248490 0.66862756
0.47254006 0.73952201 0.85091642
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0.47410956 0.79688297 0.21948630
0.23201360 0.94380690 0.21101042
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0.15286507 0.73638364 0.97358352
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0.37479179 0.62398504 0.07757984
0.56838684 0.65321376 0.92383926
0.37505030 0.62521205 0.97351227
0.56938312 0.65246589 0.02650158
0.59275333 0.51602415 0.07529653
0.78652612 0.54246640 0.92365339
0.59758563 0.51378804 0.97355657
0.79204349 0.54176902 0.02644445
0.81874032 0.40312418 0.07661614
0.81953681 0.40271383 0.97346751
0.32069688 0.90338811 0.07751775
0.51420875 0.93113238 0.92425022
0.31908870 0.90274444 0.97357546
0.51379283 0.93031877 0.02662285
0.53763779 0.79105662 0.07600456
0.73360003 0.81907427 0.92185241
0.54199200 0.79155489 0.97347888
0.73636195 0.81946347 0.02629453
0.76247676 0.68032952 0.07718235
0.95723207 0.70866212 0.92144289
0.76422055 0.68055247 0.97347253
0.95862386 0.70815453 0.02622058
0.98620446 0.56964206 0.07887568
0.98631955 0.56951213 0.97362981
0.70811115 0.95936931 0.07750179
0.90156010 0.98687515 0.92236591
0.70870081 0.95818362 0.97356006
0.90296544 0.98599324 0.02618572
0.93026973 0.84752054 0.07824182
0.93072838 0.84715781 0.97401546
Energy of Formation : Interfaces: (Hf3Al
1
10.378626 0.272359 -0.042160
-0.029533 15.004075 -0.145009
-0.160986 -0.400231 41.103938
Hf Al Zr O Ti N
36 36 72 288 72 72
Direct configuration= 4
0.01532475 0.86384806 0.78018954
0.01762337 0.91883536 0.15095311
0.02026732 0.97300733 0.27446670
0.02063085 0.69463963 0.40140848
0.02068132 0.75022599 0.52879106
0.02082169 0.80595838 0.65614721
0.51638786 0.86417345 0.77999237
0.51792110 0.91683130 0.15197993
0.52017647 0.97296428 0.27447692
0.52062987 0.69464731 0.40140906
0.52067705 0.75023193 0.52879144
0.52081663 0.80595977 0.65614591
0.01553083 0.53082616 0.78019603
0.01813350 0.58425209 0.15034130
0.02021020 0.63969245 0.27440847
0.02062845 0.36132068 0.40140958
0.02065887 0.41688441 0.52879047
0.02080861 0.47261285 0.65615230
0.51653322 0.53124509 0.77995159
0.51898283 0.58276791 0.15140632
0.52013868 0.63965010 0.27442512
0.52063000 0.36132364 0.40140978
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0.58950867 0.51789382 0.07337285
0.78222101 0.54323051 0.92483693
0.59745550 0.51398160 0.97328484
0.79194655 0.54171474 0.02715294
0.81833578 0.40416388 0.07575317
0.81957891 0.40292408 0.97315089
0.32222060 0.90365676 0.07750116
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0.51394596 0.93035802 0.02660451
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0.54191733 0.79193613 0.97339167
0.73640695 0.81955391 0.02707419
0.76056096 0.68073245 0.07679865
0.95545104 0.70857451 0.92080151
0.76426655 0.68064415 0.97307587
0.95840689 0.70816025 0.02688092
0.98529387 0.56977884 0.08015888
0.98626477 0.56950234 0.97263672
0.70772481 0.96124950 0.07733009
0.90067894 0.98850094 0.92252452
0.70886959 0.95837590 0.97310963
0.90286866 0.98600438 0.02673315
0.92969401 0.84815477 0.07908459
0.93076696 0.84731332 0.97361834
Energy of Formation : Interfaces: (Hf3Al
1
10.366246 0.264147 -0.042096
-0.040989 14.990624 -0.137873
-0.160881 -0.380540 41.068773
Hf Al Zr O Ti N
36 36 72 288 72 72
Direct configuration= 5
0.01590817 0.86373257 0.78036165
0.01840710 0.91895704 0.15086959
0.02041462 0.97294618 0.27439006
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0.56947609 0.65266738 0.02675180
0.58996915 0.51762985 0.07364497
0.78283009 0.54311852 0.92466917
0.59747410 0.51395447 0.97332329
0.79196019 0.54172146 0.02705261
0.81839408 0.40401756 0.07587521
0.81957319 0.40289474 0.97319569
0.32200563 0.90361954 0.07750347
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0.31911697 0.90260010 0.97313233
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0.54192830 0.79188222 0.97340396
0.73640070 0.81954012 0.02696376
0.76083207 0.68067488 0.07685292
0.95570257 0.70858681 0.92089236
0.76426015 0.68063171 0.97313203
0.95843755 0.70815847 0.02678740
0.98542267 0.56975734 0.07997712
0.98627250 0.56950497 0.97277736
0.70778147 0.96098327 0.07735409
0.90080523 0.98827005 0.92250178
0.70884596 0.95834934 0.97317339
0.90288234 0.98600205 0.02665561
0.92977605 0.84806357 0.07896512
0.93076168 0.84729184 0.97367456
Energy of Formation : Interfaces: (Hf3Al
1
10.337185 0.270457 -0.044854
-0.030180 14.923794 -0.179771
-0.168983 -0.494437 40.995746
Hf Al Zr O Ti N
36 36 72 288 72 72
Direct configuration= 6
0.01476122 0.86409751 0.78001441
0.01923412 0.92100305 0.15152052
0.01993953 0.97386716 0.27476898
0.02066252 0.69512019 0.40138068
0.02075316 0.75068640 0.52877183
0.02073256 0.80689884 0.65586884
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0.52065737 0.69512897 0.40138240
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0.52071884 0.80691331 0.65586317
0.01544782 0.53154085 0.78011370
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0.01981660 0.64050863 0.27470466
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0.02073722 0.41734769 0.52877198
0.02070896 0.47353010 0.65589057
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