vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2025 05 19
17:02:30
No title
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4
0
-30.00000000
-30.00000000
-200.00000000
0
-0.10000000
F
F
F
F
F
F
F
1
1
1
2800
0
-1
-1
0.80000001
1.00000000
0.00000000
0.00000000 0.00000000 0.00000000
0.00000000
0.00000000
0.00000000
F
282
4
ion
element
atomtype
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
Si 1
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
O 2
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
H 3
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
C 4
type
atomspertype
element
mass
valence
pseudopotential
147Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001
42O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
76H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
17C 12.01100000 4.00000000 PAW_PBE C 08Apr2002
11.60079000 0.00000000 0.00000000
0.00000000 30.46772000 0.00000000
0.00000000 0.00000000 16.40601000
5798.69802481
0.08620103 0.00000000 0.00000000
0.00000000 0.03282162 0.00000000
0.00000000 0.00000000 0.06095327
0.92197075 0.34076016 0.13980507
0.92197075 0.40421962 0.05647174
0.08863742 0.34076016 0.22313840
0.08863742 0.40421962 0.97313840
0.92403488 0.59530703 0.13658510
0.91887259 0.14863209 0.05717604
0.09009160 0.59688649 0.22048727
0.08551545 0.14859844 0.97249754
0.92122850 0.21359126 0.13899190
0.92137687 0.53060448 0.05623906
0.08788244 0.21357629 0.22407668
0.08839927 0.53090742 0.97254505
0.92197075 0.46767908 0.13980507
0.92197075 0.27730070 0.05647174
0.08863742 0.46767908 0.22313840
0.08863742 0.27730070 0.97313840
0.92197075 0.34076016 0.47313840
0.92197075 0.40421962 0.38980507
0.08863742 0.34076016 0.55647174
0.08863742 0.40421962 0.30647174
0.92831032 0.59549933 0.47260418
0.91869683 0.14859722 0.39054589
0.09464841 0.59506062 0.55748056
0.08538251 0.14860079 0.30584867
0.92140350 0.21358688 0.47226572
0.92403936 0.53104878 0.38996536
0.08801323 0.21360336 0.55733908
0.09027276 0.53220974 0.30459391
0.92197075 0.46767908 0.47313840
0.92197075 0.27730070 0.38980507
0.08863742 0.46767908 0.55647174
0.08863742 0.27730070 0.30647174
0.92197075 0.34076016 0.80647174
0.92197075 0.40421962 0.72313840
0.08863742 0.34076016 0.88980507
0.08863742 0.40421962 0.63980507
0.92570202 0.59603540 0.80604232
0.91862946 0.14862529 0.72383789
0.09131549 0.59582790 0.89171141
0.08527406 0.14868624 0.63917500
0.92168474 0.21356732 0.80565977
0.92298720 0.53120448 0.72407156
0.08837818 0.21356671 0.89072801
0.09070598 0.53098114 0.64028693
0.92197075 0.46767908 0.80647174
0.92197075 0.27730070 0.72313840
0.08863742 0.46767908 0.88980507
0.08863742 0.27730070 0.63980507
0.25530408 0.34076016 0.13980507
0.25530408 0.40421962 0.05647174
0.42197075 0.34076016 0.22313840
0.42197075 0.40421962 0.97313840
0.25737023 0.59586742 0.13743263
0.25219758 0.14861061 0.05717604
0.42274075 0.59634715 0.22305315
0.41884453 0.14859021 0.97250411
0.25455473 0.21358112 0.13896328
0.25538319 0.53088056 0.05699786
0.42118192 0.21358454 0.22407289
0.42273732 0.53059438 0.97369779
0.25530408 0.46767908 0.13980507
0.25530408 0.27730070 0.05647174
0.42197075 0.46767908 0.22313840
0.42197075 0.27730070 0.97313840
0.25530408 0.34076016 0.47313840
0.25530408 0.40421962 0.38980507
0.42197075 0.34076016 0.55647174
0.42197075 0.40421962 0.30647174
0.26337509 0.59548968 0.47418036
0.25201391 0.14861459 0.39052519
0.43187191 0.60220376 0.55506373
0.41872073 0.14861790 0.30585026
0.25470130 0.21359593 0.47226926
0.25639897 0.53186694 0.39023146
0.42139166 0.21363675 0.55725841
0.42281368 0.53138240 0.30494968
0.25530408 0.46767908 0.47313840
0.25530408 0.27730070 0.38980507
0.42197075 0.46767908 0.55647174
0.42197075 0.27730070 0.30647174
0.25530408 0.34076016 0.80647174
0.25530408 0.40421962 0.72313840
0.42197075 0.34076016 0.88980507
0.42197075 0.40421962 0.63980507
0.25870961 0.59628294 0.80870996
0.25196020 0.14863354 0.72383693
0.42451922 0.59526072 0.89314056
0.41861295 0.14874159 0.63917087
0.25501384 0.21356568 0.80567008
0.25815938 0.53190792 0.72469300
0.42170668 0.21355722 0.89074284
0.42416881 0.53441573 0.63812728
0.25530408 0.46767908 0.80647174
0.25530408 0.27730070 0.72313840
0.42197075 0.46767908 0.88980507
0.42197075 0.27730070 0.63980507
0.58863742 0.34076016 0.13980507
0.58863742 0.40421962 0.05647174
0.75530408 0.34076016 0.22313840
0.75530408 0.40421962 0.97313840
0.59123738 0.59653180 0.13992463
0.58553575 0.14863748 0.05717670
0.75969015 0.59596253 0.22281736
0.75218184 0.14861496 0.97249903
0.58789076 0.21359875 0.13901352
0.58924800 0.53139173 0.05816268
0.75455311 0.21358717 0.22409217
0.75503572 0.53117860 0.97199430
0.58863742 0.46767908 0.13980507
0.58863742 0.27730070 0.05647174
0.75530408 0.46767908 0.22313840
0.75530408 0.27730070 0.97313840
0.58863742 0.34076016 0.47313840
0.58863742 0.40421962 0.38980507
0.75530408 0.34076016 0.55647174
0.75530408 0.40421962 0.30647174
0.59450145 0.59451043 0.46900749
0.58535090 0.14862094 0.39053900
0.75994183 0.59447390 0.55543903
0.75206207 0.14862314 0.30586906
0.58810913 0.21359595 0.47224500
0.59097167 0.53027521 0.38821179
0.75471858 0.21361709 0.55732934
0.75748758 0.53109776 0.30475906
0.58863742 0.46767908 0.47313840
0.58863742 0.27730070 0.38980507
0.75530408 0.46767908 0.55647174
0.75530408 0.27730070 0.30647174
0.58863742 0.34076016 0.80647174
0.58863742 0.40421962 0.72313840
0.75530408 0.34076016 0.88980507
0.75530408 0.40421962 0.63980507
0.58967689 0.59495217 0.80771347
0.58531429 0.14862947 0.72383211
0.75797740 0.59609565 0.89001896
0.75195245 0.14870822 0.63915329
0.58831340 0.21356094 0.80565276
0.58906860 0.53098626 0.72404239
0.75503142 0.21357464 0.89070724
0.75626713 0.53073295 0.63929848
0.58863742 0.46767908 0.80647174
0.58863742 0.27730070 0.72313840
0.75530408 0.46767908 0.88980507
0.75530408 0.27730070 0.63980507
0.72507000 0.76957226 0.57678121
0.61216631 0.77046031 0.40301816
0.47267130 0.73178526 0.55689762
0.92978893 0.63846681 0.07137960
0.91211928 0.10585000 0.12302020
0.09364412 0.64241839 0.27609919
0.07870952 0.10580050 0.90670043
0.93621871 0.63839981 0.40734201
0.91209618 0.10580932 0.45640940
0.10270900 0.63880636 0.62194756
0.07880074 0.10582661 0.23999250
0.93401242 0.63868969 0.73954415
0.91200748 0.10578537 0.78956071
0.09694129 0.63884860 0.95703139
0.07870484 0.10589221 0.57331133
0.26530006 0.63877343 0.07168498
0.24545235 0.10583855 0.12303053
0.42566095 0.63919578 0.28888472
0.41207590 0.10579016 0.90670848
0.26666520 0.63968462 0.41009297
0.24542197 0.10584698 0.45642672
0.44117777 0.65169295 0.59608177
0.41215485 0.10584387 0.23998764
0.26903325 0.64092443 0.75048180
0.24539430 0.10577638 0.78953221
0.43297100 0.63841705 0.95814081
0.41204726 0.10596929 0.57325016
0.59856192 0.63916959 0.07366368
0.57882351 0.10586778 0.12304770
0.77079728 0.63895686 0.28771355
0.74536364 0.10581759 0.90670299
0.60139501 0.63779898 0.40283569
0.57876814 0.10584507 0.45643694
0.76326707 0.63631473 0.62439911
0.74550779 0.10585426 0.23997645
0.59417485 0.63815294 0.74221728
0.57869385 0.10576748 0.78951241
0.76381325 0.63921635 0.95529536
0.74536691 0.10592060 0.57326665
0.58920296 0.82381743 0.38715746
0.40124743 0.76175277 0.62091796
0.70285411 0.82027511 0.60365305
0.23720277 0.70542588 0.50878929
0.64431875 0.74487680 0.31765693
0.84881163 0.75745172 0.62003944
0.86460408 0.64086157 0.03143233
0.97745649 0.10359484 0.16282691
0.04615345 0.64275881 0.32625997
0.14401126 0.10351135 0.86689365
0.87381628 0.64007095 0.36512568
0.97740951 0.10361366 0.49627343
0.03975048 0.64076855 0.66382937
0.14411045 0.10361717 0.20013710
0.86856445 0.64052652 0.69979150
0.97731305 0.10353279 0.82938416
0.03153595 0.64094615 0.99703987
0.14405303 0.10367101 0.53349404
0.19946640 0.64129195 0.03219182
0.31078314 0.10358754 0.16284299
0.35675247 0.64191573 0.32574005
0.47736699 0.10351359 0.86688671
0.24755476 0.66755183 0.43715482
0.31074526 0.10367553 0.49629236
0.24023752 0.68239470 0.55562313
0.47745836 0.10365531 0.20012078
0.21771437 0.64215405 0.70245640
0.31067970 0.10353505 0.82937472
0.36698512 0.64092345 0.99768006
0.47742137 0.10375257 0.53343910
0.53328337 0.64097619 0.03343783
0.64415486 0.10363994 0.16287121
0.70498269 0.64252794 0.32673729
0.81066311 0.10353215 0.86688637
0.53395812 0.64002083 0.36487360
0.64408689 0.10368960 0.49631603
0.69656219 0.63699153 0.66328985
0.81081393 0.10368311 0.20010407
0.52299196 0.64524594 0.71145074
0.64397872 0.10352428 0.82935530
0.69893113 0.64124478 0.99551560
0.81074311 0.10369173 0.53346991
0.79307149 0.76173619 0.74195018
0.92830209 0.73617174 0.72344463
0.95712218 0.80965429 0.78528479
0.87571230 0.83483485 0.70498667
0.01101038 0.80971832 0.68304712
0.27800603 0.80476085 0.57621891
0.22546726 0.75699268 0.62991368
0.20330789 0.82365112 0.71711032
0.35557574 0.83378865 0.70881659
0.30248251 0.78570628 0.76138473
0.29250125 0.77382056 0.46274495
0.39479116 0.81649961 0.45786665
0.26819024 0.81504502 0.33573638
0.31291769 0.76054329 0.31248337
0.41287988 0.80509384 0.30733403
0.53045840 0.72511479 0.22798430
0.54798724 0.78312095 0.23667017
0.65043431 0.75319713 0.11366451
0.73657817 0.71904289 0.17774757
0.74994356 0.77732328 0.18398138
0.05991728 0.70165787 0.53265863
0.12618748 0.75362066 0.55627445
0.00155173 0.75675006 0.43760000
0.08812911 0.71689637 0.38501947
0.14686582 0.77047397 0.41132517
0.75589072 0.84871729 0.39842241
0.70908247 0.83909530 0.29514774
0.71179116 0.91910060 0.32530022
0.61625016 0.91037267 0.41009115
0.56790639 0.90079073 0.30712655
0.57187318 0.84936615 0.53414534
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0.87279148 0.76374136 0.70518368
0.93261729 0.80725998 0.72053393
0.29174194 0.78295167 0.62969535
0.28831357 0.80804921 0.70908852
0.37039452 0.78466469 0.43128806
0.33986369 0.79147881 0.34142882
0.59419948 0.75139209 0.23867831
0.68870172 0.75015872 0.17471014
0.12419259 0.72618600 0.51310232
0.08954393 0.74331015 0.43015472
0.68158444 0.85103086 0.35603976
0.64179674 0.89825204 0.34931738
0.60617750 0.84898794 0.59724303
0.64884999 0.89393421 0.62244420
F F F
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F F F
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F F F
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F F F
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