POSCAR_REV_W_chgcar
1
11.332600 0.000000 0.000000
0.000000 12.179700 0.000000
0.000000 0.000000 31.997101
S W
32 16
Direct configuration= 1
0.43465465 0.12490899 0.31822252
0.18445793 0.99993814 0.31823278
0.43448423 0.12495938 0.41671699
0.18457257 0.99988854 0.41672649
0.93458945 0.12489419 0.31825606
0.68464031 0.99997797 0.31824534
0.93454837 0.12488599 0.41676856
0.68464180 0.99990692 0.41673856
0.43460413 0.37493117 0.31822535
0.18435142 0.24990929 0.31822452
0.43453923 0.37482436 0.41672271
0.18459234 0.24992883 0.41671593
0.93457412 0.37497711 0.31825259
0.68469091 0.24989269 0.31825592
0.93456804 0.37497752 0.41675520
0.68469454 0.24992507 0.41674752
0.43449849 0.62493229 0.31824409
0.18459013 0.49989910 0.31824535
0.43467202 0.62486853 0.41675037
0.18455372 0.49994036 0.41674327
0.93455299 0.62494067 0.31824147
0.68458889 0.49985954 0.31823446
0.93460171 0.62494247 0.41671806
0.68455575 0.49992329 0.41673214
0.43453435 0.87489352 0.31823818
0.18471174 0.74992001 0.31825897
0.43462576 0.87502087 0.41673995
0.18451127 0.74991131 0.41676047
0.93455981 0.87485455 0.31824206
0.68454501 0.74993798 0.31822453
0.93458988 0.87485976 0.41672901
0.68450052 0.74991678 0.41672614
0.09931854 0.12490563 0.36749504
0.34933920 0.99992365 0.36746263
0.59943871 0.12493621 0.36750630
0.84943584 0.99988859 0.36748991
0.09933966 0.37493995 0.36749027
0.34931223 0.24991338 0.36744101
0.59942131 0.37487096 0.36748916
0.84947323 0.24992927 0.36749557
0.09939861 0.62492516 0.36748209
0.34937686 0.49991141 0.36748830
0.59938505 0.62489837 0.36745529
0.84938480 0.49994370 0.36749004
0.09937316 0.87489694 0.36748265
0.34940699 0.74992126 0.36751757
0.59939943 0.87496469 0.36746758
0.84934946 0.74990524 0.36748522
Direct configuration= 2
0.41855945 -0.05267826 0.26937184
0.06952327 0.13469664 0.23314359
0.40674025 -0.02900032 0.42311372
-0.01197787 0.17082229 0.43995462
0.65471178 -0.53416495 0.89674699
0.20614248 0.25882403 0.39913235
0.64776573 -0.67263048 -0.27291865
0.30395242 0.30387308 0.26598337
0.59090882 -0.41142426 -0.10566535
-0.05943242 -0.12887489 0.19468104
0.58274733 -0.52563241 0.86050697
-0.03171323 -0.05508606 0.51890649
0.99379486 0.23417368 0.16517820
0.92229886 -0.24098183 0.16435469
0.02053383 0.30240965 0.54305612
0.91844765 -0.19209931 0.53463435
-0.16621205 0.30508988 0.42221974
-0.01078874 -0.33261607 -0.05912118
0.00627640 0.48049926 -0.39615899
-0.26332135 -0.47543603 0.87231858
0.50299440 0.92992092 0.14820669
0.32304128 -0.37545457 -0.13350795
0.55375095 0.90709885 0.56060867
0.30917369 -0.37328409 0.85029192
0.92617015 0.79377992 0.01494238
-0.28908363 0.21628792 -0.09487360
0.88597912 0.74403432 0.70098245
-0.30012146 0.21048089 0.82712909
0.82155807 0.29991583 0.32771761
0.06022041 0.28899124 0.01778203
0.79497012 0.51009683 0.33427153
0.01845394 0.19481559 0.69364276
-0.10232233 -0.01944898 0.49986001
0.26141928 0.15908029 0.36167416
0.46468444 -0.24315045 0.36213527
0.26157192 0.98041179 0.55377186
-0.34748822 -0.53844184 0.38452707
-0.21286346 -0.01826508 0.38524668
0.75174126 -0.97065513 0.39675023
0.75763908 -0.78894676 0.39187756
-0.46762782 0.31533297 0.41211152
0.53584447 0.39387655 0.17213939
-0.78114525 -0.06014389 0.32343075
0.88036689 -0.51948966 0.37437799
-0.01046953 0.28103696 0.38042668
0.26501578 -0.08091239 0.29482149
0.01889211 0.02020486 0.36031045
0.41522602 0.19908507 0.36928099
Direct configuration= 3
0.41983515 -0.03860274 0.27324374
0.07863296 0.12401572 0.23988773
0.40893923 -0.01679752 0.42260672
0.00360066 0.15727413 0.43811356
0.67689481 -0.48192809 0.85089595
0.16480835 0.23830796 0.39272127
0.67049605 -0.60941953 -0.21825422
0.25486602 0.27978080 0.27793219
0.57852015 -0.26983819 -0.07206788
-0.04011017 -0.09885255 0.20447306
0.57100039 -0.37500270 0.82533274
-0.01456891 -0.03091066 0.51080689
0.98910104 0.24533372 0.17731084
0.90346612 -0.20207524 0.17655286
0.01372021 0.30816136 0.53304554
0.89992044 -0.15706457 0.52529067
-0.11859989 0.33044051 0.33471892
0.08395668 -0.26663114 -0.02921121
0.04023092 0.49194193 -0.33172801
-0.14856315 -0.39812795 0.83620980
0.53719962 0.90574826 0.16168360
0.19317797 -0.30607740 -0.09770296
0.58393709 0.88473521 0.54920394
0.18040689 -0.30407390 0.81592808
0.88720322 0.64168948 0.03898153
-0.17227100 0.10006398 -0.06212882
0.85020497 0.59589680 0.67845346
-0.18244985 0.09471653 0.79460338
0.83051455 0.26622558 0.32696658
-0.04881526 0.16700628 0.04159503
0.80603635 0.45974810 0.34080709
-0.08727486 0.08029329 0.67169442
0.23069864 0.07125227 0.48936880
0.26838779 0.06720584 0.36213295
0.39610529 -0.21397600 0.36256098
0.07038664 0.58565682 0.53900720
-0.23281302 -0.38678770 0.38317674
-0.16830556 0.16151016 0.38383541
0.58114894 -0.70548960 0.39443101
0.68565810 -0.54808623 0.38994505
-0.26416597 0.26061143 0.40857420
0.28328588 -0.07327759 0.18762270
-0.43394556 -0.00584762 0.32692012
0.79865152 -0.43868964 0.37383206
0.07749632 0.16958667 0.37940074
0.11318513 0.30197823 0.30058336
-0.09361651 -0.14982632 0.36087772
0.37037479 0.08422345 0.36913866
Direct configuration= 4
0.40807543 -0.03757296 0.25836714
0.05687583 0.16401179 0.23633124
0.42172633 -0.01743432 0.43305632
-0.14654440 0.18692396 0.41488557
0.61603246 -0.58496441 0.95143999
0.23878130 0.33929002 0.40734063
0.60743031 -0.73553405 -0.35543301
0.38405312 0.37116862 0.25685504
0.59683527 -0.56129752 -0.14738140
-0.07956109 -0.12665965 0.20116505
0.57772365 -0.68284357 0.89354239
-0.09579063 -0.03828394 0.50076024
0.99486726 0.24512822 0.15983025
0.93590330 -0.27194443 0.15838084
0.02135559 0.30362023 0.52826936
0.94340031 -0.17393000 0.51885145
-0.19476790 0.28605918 0.55754513
-0.12882336 -0.38611299 -0.09258790
-0.02511891 0.48691944 -0.49972682
-0.40335359 -0.54477658 0.90839407
0.44295064 0.99009982 0.14103846
0.49099143 -0.44056555 -0.18339110
0.51137856 0.97307499 0.54950092
0.47260902 -0.43367716 0.87912472
0.96533773 0.00280782 -0.00759037
-0.44144372 0.38968492 -0.13760368
0.91722902 0.96021912 0.70626910
-0.45047941 0.37792100 0.85492886
0.74402164 0.22315780 0.35557351
0.19338350 0.46782666 -0.00545052
0.74526401 0.59059345 0.33157517
0.14860167 0.35977882 0.69654192
-0.54251218 -0.11566314 0.50806698
0.07577298 0.29137957 0.35718059
0.21239808 -0.54546169 0.36750737
0.49381572 0.49549451 0.54925341
-0.79709283 -0.26473070 0.46507535
-0.49691784 -0.71763869 0.52273970
0.02377121 -0.29475235 0.39106529
0.69843864 -0.08187955 0.38241033
-0.44050677 0.00191743 0.37031685
0.83930338 0.00229181 0.15938587
-0.10285945 -0.05631957 0.33956491
0.27013296 -0.09134813 0.29702041
-0.35634562 0.38321282 0.38845302
0.42733504 -0.52505183 0.30915825
0.11646620 0.40217024 0.38028138
0.60640529 0.42971214 0.38149190
Direct configuration= 5
0.40989135 -0.03773198 0.26066436
0.06023554 0.15783565 0.23688043
0.41975177 -0.01733599 0.43144271
-0.12335920 0.18234547 0.41847240
0.62543075 -0.56905368 0.93591411
0.22735850 0.32369650 0.40508313
0.61716884 -0.71605961 -0.33425004
0.36410422 0.35705663 0.26010974
0.59400707 -0.51629076 -0.13575158
-0.07346913 -0.12236572 0.20167587
0.57668545 -0.63530720 0.88300954
-0.08324848 -0.03714537 0.50231163
0.99397685 0.24515995 0.16252958
0.93089439 -0.26115533 0.16118694
0.02017655 0.30432146 0.52900689
0.93668621 -0.17132566 0.51984578
-0.18300614 0.29291249 0.52313660
-0.09596615 -0.36766276 -0.08280136
-0.01502768 0.48769500 -0.47378466
-0.36400919 -0.52213129 0.89724747
0.45750444 0.97707436 0.14422646
0.44500347 -0.41979807 -0.17015926
0.52258295 0.95943368 0.54945506
0.42748756 -0.41366400 0.86936598
0.95327231 -0.05295559 -0.00039880
-0.39987843 0.34496204 -0.12594896
0.90687925 0.90396095 0.70197385
-0.40909065 0.33418894 0.84561348
0.75737776 0.22980827 0.35115606
0.15598349 0.42137438 0.00181419
0.75464839 0.57038849 0.33300075
0.11217793 0.31662103 0.69270500
-0.42311400 -0.08679991 0.50517963
0.10551630 0.25676296 0.35794533
0.08634724 -0.49427411 0.36674355
0.42843037 0.35499859 0.54767120
-0.70995750 -0.28357858 0.45242868
-0.44617397 -0.58188170 0.50129029
-0.04457793 -0.20375918 0.39158502
0.69646509 0.00054810 0.38357383
-0.41327646 0.04186461 0.37622450
0.75344390 -0.16379618 0.16374617
0.00043334 -0.04852576 0.33761232
0.19732743 0.00943453 0.30888156
-0.28935233 0.35022495 0.38705518
0.37882443 -0.39734295 0.30783413
0.08402551 0.31693167 0.37728509
0.56995777 0.37636224 0.37958433
Direct configuration= 6
0.40853050 -0.03761281 0.25894282
0.05771778 0.16246404 0.23646887
0.42123150 -0.01740968 0.43265195
-0.14073415 0.18577658 0.41578444
0.61838769 -0.58097716 0.94754917
0.23591873 0.33538225 0.40677490
0.60987080 -0.73065372 -0.35012452
0.37905389 0.36763213 0.25767067
0.59612652 -0.55001874 -0.14446694
-0.07803443 -0.12558358 0.20129306
0.57746348 -0.67093087 0.89090284
-0.09264754 -0.03799861 0.50114903
0.99464412 0.24513617 0.16050671
0.93464806 -0.26924066 0.15908405
0.02106012 0.30379596 0.52845418
0.94171774 -0.17327734 0.51910063
-0.19182038 0.28777663 0.54892229
-0.12058928 -0.38148932 -0.09013538
-0.02259003 0.48711380 -0.49322566
-0.39349381 -0.53910162 0.90560071
0.44659785 0.98683561 0.14183738
0.47946676 -0.43536118 -0.18007518
0.51418640 0.96965645 0.54948943
0.46130150 -0.42866182 0.87667916
0.96231412 -0.01116659 -0.00578814
-0.43102738 0.37847728 -0.13468299
0.91463535 0.94612072 0.70519270
-0.44010731 0.36696166 0.85259441
0.74736871 0.22482442 0.35446649
0.18401099 0.45618563 -0.00362997
0.74761576 0.58553005 0.33193243
0.13947381 0.34896339 0.69558038
-0.51259077 -0.10842996 0.50734340
0.08322671 0.28270458 0.35737224
0.18080950 -0.53263398 0.36731596
0.47743002 0.46028596 0.54885690
-0.77525655 -0.26945401 0.46190607
-0.48420133 -0.68361773 0.51736444
0.00664278 -0.27194929 0.39119554
0.69794406 -0.06122302 0.38270191
-0.43368280 0.01192827 0.37179732
0.81778683 -0.03933016 0.16047857
-0.07697408 -0.05436642 0.33907559
0.25188775 -0.06609180 0.29999284
-0.33955698 0.37494600 0.38810272
0.41517819 -0.49304774 0.30882643
0.10833650 0.38080929 0.37953051
0.59727147 0.41634256 0.38101386
Direct configuration= 7
0.40921093 -0.03767240 0.25980359
0.05897666 0.16014985 0.23667465
0.42049163 -0.01737283 0.43204733
-0.13204668 0.18406103 0.41712842
0.62190922 -0.57501542 0.94173164
0.23163861 0.32953938 0.40592901
0.61351982 -0.72335667 -0.34218728
0.37157905 0.36234438 0.25889021
0.59506680 -0.53315475 -0.14010926
-0.07575178 -0.12397465 0.20148447
0.57707446 -0.65311903 0.88695619
-0.08794801 -0.03757199 0.50173033
0.99431048 0.24514806 0.16151815
0.93277123 -0.26519800 0.16013550
0.02061834 0.30405871 0.52873054
0.93920197 -0.17230150 0.51947320
-0.18741326 0.29034456 0.53602944
-0.10827771 -0.37457604 -0.08646837
-0.01880886 0.48740440 -0.48350516
-0.37875150 -0.53061646 0.90142409
0.45205115 0.98195499 0.14303192
0.46223511 -0.42757962 -0.17511722
0.51838468 0.96454507 0.54947224
0.44439453 -0.42116291 0.87302257
0.95779321 -0.03206109 -0.00309347
-0.41545290 0.36171966 -0.13031597
0.91075730 0.92504083 0.70358327
-0.42459898 0.35057530 0.84910395
0.75237323 0.22731634 0.35281128
0.16999724 0.43878001 -0.00090789
0.75113207 0.57795927 0.33246659
0.12582587 0.33279221 0.69414269
-0.46785238 -0.09761494 0.50626152
0.09437151 0.26973377 0.35765878
0.13357837 -0.51345405 0.36702975
0.45293019 0.40764227 0.54826405
-0.74260703 -0.27651630 0.45716737
-0.46518765 -0.63274971 0.50932736
-0.01896758 -0.23785424 0.39139028
0.69720458 -0.03033746 0.38313787
-0.42347963 0.02689644 0.37401091
0.78561536 -0.10156317 0.16211237
-0.03827037 -0.05144609 0.33834395
0.22460759 -0.02832864 0.30443720
-0.31445465 0.36258548 0.38757895
0.39700131 -0.44519534 0.30833028
0.09618100 0.34887048 0.37840780
0.58361462 0.39635240 0.38029910
Direct configuration= 8
0.40879409 -0.03763590 0.25927628
0.05820545 0.16156754 0.23654859
0.42094488 -0.01739540 0.43241772
-0.13736870 0.18511199 0.41630508
0.61975190 -0.57866764 0.94529552
0.23426065 0.33311878 0.40644721
0.61128440 -0.72782691 -0.34704971
0.37615821 0.36558370 0.25814311
0.59571599 -0.54348579 -0.14277882
-0.07715015 -0.12496030 0.20136721
0.57731278 -0.66403073 0.88937394
-0.09082699 -0.03783335 0.50137422
0.99451487 0.24514078 0.16089853
0.93392099 -0.26767457 0.15949137
0.02088898 0.30389774 0.52856124
0.94074316 -0.17289931 0.51924496
-0.19011310 0.28877142 0.54392772
-0.11581990 -0.37881118 -0.08871481
-0.02112524 0.48722637 -0.48946003
-0.38778278 -0.53581455 0.90398273
0.44871041 0.98494491 0.14230013
0.47279138 -0.43234668 -0.17815451
0.51581278 0.96767635 0.54948277
0.45475190 -0.42575682 0.87526263
0.96056276 -0.01926092 -0.00474425
-0.42499398 0.37198554 -0.13299125
0.91313303 0.93795457 0.70456922
-0.43409953 0.36061374 0.85124224
0.74930741 0.22578977 0.35382528
0.17858220 0.44944286 -0.00257546
0.74897794 0.58259720 0.33213936
0.13418673 0.34269883 0.69502343
-0.49525955 -0.10424032 0.50692429
0.08754410 0.27767981 0.35748324
0.16251261 -0.52520386 0.36720508
0.46793902 0.43989230 0.54862724
-0.76260844 -0.27218987 0.46007034
-0.47683561 -0.66391195 0.51425095
-0.00327843 -0.25874119 0.39127098
0.69765759 -0.04925825 0.38287079
-0.42973019 0.01772679 0.37265485
0.80532391 -0.06343863 0.16111149
-0.06198064 -0.05323511 0.33879216
0.24131968 -0.05146271 0.30171454
-0.32983258 0.37015765 0.38789981
0.40813664 -0.47451018 0.30863422
0.10362758 0.36843650 0.37909558
0.59198094 0.40859856 0.38073697
Direct configuration= 9
0.40900251 -0.03765415 0.25953994
0.05859106 0.16085870 0.23661162
0.42071826 -0.01738412 0.43223252
-0.13470769 0.18458651 0.41671675
0.62083056 -0.57684153 0.94351358
0.23294963 0.33132908 0.40618811
0.61240211 -0.72559179 -0.34461849
0.37386863 0.36396404 0.25851666
0.59539139 -0.53832027 -0.14144404
-0.07645097 -0.12446747 0.20142584
0.57719362 -0.65857488 0.88816507
-0.08938750 -0.03770267 0.50155227
0.99441268 0.24514442 0.16120834
0.93334611 -0.26643628 0.15981343
0.02075366 0.30397823 0.52864589
0.93997257 -0.17260041 0.51935908
-0.18876318 0.28955799 0.53997858
-0.11204880 -0.37669361 -0.08759159
-0.01996705 0.48731539 -0.48648260
-0.38326714 -0.53321550 0.90270341
0.45038078 0.98344995 0.14266602
0.46751325 -0.42996315 -0.17663586
0.51709873 0.96611071 0.54947751
0.44957322 -0.42345987 0.87414260
0.95917799 -0.02566101 -0.00391886
-0.42022344 0.36685260 -0.13165361
0.91194516 0.93149770 0.70407625
-0.42934926 0.35559452 0.85017309
0.75084032 0.22655305 0.35331828
0.17428972 0.44411143 -0.00174168
0.75005501 0.58027824 0.33230297
0.13000630 0.33774552 0.69458306
-0.48155597 -0.10092763 0.50659290
0.09095780 0.27370679 0.35757101
0.14804549 -0.51932895 0.36711742
0.46043461 0.42376729 0.54844564
-0.75260773 -0.27435308 0.45861886
-0.47101163 -0.64833083 0.51178916
-0.01112300 -0.24829772 0.39133063
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Direct configuration= 10
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