vasp
6.2.1
16May21 (build Apr 11 2022 11:03:26) complex parallel
Lin64
2025 09 22
23:27:22
No title
0
Normal
Normal (blocked Davidson)
F
1
2
1
60
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0.00001000
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No title
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normal
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135
5
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
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
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
B 3
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
H 4
C 5
C 5
type
atomspertype
element
mass
valence
pseudopotential
35Si 28.08500000 4.00000000 PAW_PBE Si 05Jan2001
80O 16.00000000 6.00000000 PAW_PBE O 08Apr2002
1B 10.81100000 3.00000000 PAW_PBE B 06Sep2000
17H 1.00000000 1.00000000 PAW_PBE H 15Jun2001
2C 12.01100000 4.00000000 PAW_PBE C 08Apr2002
11.20000000 0.00000000 0.00000000
0.00000000 11.20000000 0.00000000
0.00000000 0.00000000 32.40000000
4064.25600000
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0.00000000 0.08928571 0.00000000
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0.12091373 0.37096402 0.57663932
0.31719871 0.37441537 0.21539216
0.36953792 0.37507045 0.62095078
0.13121043 0.12398734 0.31189687
0.37070601 0.12512777 0.46972223
0.12489773 0.37392911 0.36256360
0.37000506 0.37244350 0.41434522
0.11790950 0.61471924 0.52556271
0.37861000 0.62485784 0.25849292
0.12443366 0.87111365 0.57454020
0.31344289 0.87342166 0.21685132
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0.12945325 0.62567297 0.31309076
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0.61583105 0.87491495 0.56946765
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0.62927788 0.62202030 0.31157077
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0.87541281 0.87434882 0.41453342
0.11909602 0.99642874 0.55076198
0.37939471 0.24824873 0.23029102
0.39826878 0.23659435 0.64726057
0.11678519 0.25335549 0.55284724
0.38082697 0.49886840 0.23096985
0.40025133 0.51071760 0.64880064
0.48731135 0.37218505 0.59277404
0.18224007 0.38454708 0.23324113
0.22946596 0.37741295 0.60572206
0.26010564 0.11989556 0.28602188
0.01338972 0.12760129 0.28064475
0.12166313 0.99868180 0.33708139
0.35819901 0.25148726 0.44233455
0.12635682 0.25014767 0.33625595
0.36021331 0.49898350 0.43927976
0.50179552 0.36977853 0.39095233
0.24821871 0.37172567 0.38766796
0.24937919 0.12279079 0.49929666
0.00076644 0.12372556 0.49346065
0.09070417 0.49654968 0.55678283
0.37965327 0.74981592 0.23119051
0.38502588 0.73256588 0.64828512
0.12137567 0.75203463 0.54799201
0.38378747 0.99796580 0.23032107
0.38327821 0.01744184 0.64551303
0.49900723 0.87384708 0.60175454
0.18208335 0.86619156 0.23740305
0.24429687 0.86927180 0.60289633
0.25835983 0.62780601 0.28729490
0.00712531 0.62321664 0.28398386
0.12639210 0.50102620 0.33814007
0.38460935 0.75040830 0.44680487
0.12572300 0.75040907 0.33914421
0.37720283 0.99350392 0.44626032
0.50133099 0.87738315 0.38766199
0.25156683 0.87773084 0.39174127
0.25005071 0.61076772 0.50038476
0.99999454 0.62407719 0.49232796
0.60561405 0.99707168 0.54066393
0.88716431 0.25176619 0.23058236
0.62285094 0.25611350 0.54468559
0.88504369 0.50205571 0.22921520
0.90902441 0.36157290 0.66975071
0.98125492 0.35857147 0.60842853
0.68754437 0.36368582 0.23446664
0.71829491 0.37727941 0.61685084
0.76044360 0.12496192 0.28488263
0.51072397 0.12551565 0.28106610
0.62741741 0.99769267 0.33511395
0.87351332 0.25145718 0.44243154
0.62679010 0.24984533 0.33696005
0.87391650 0.49685722 0.44143944
0.00113388 0.37178658 0.38911280
0.74733036 0.37377724 0.38890299
0.74651917 0.12266510 0.49465283
0.49844586 0.13391930 0.49386517
0.63723508 0.49944598 0.54927399
0.88241804 0.75191042 0.23255795
0.88196746 0.81434402 0.66077011
0.61015168 0.74835950 0.54276520
0.88633950 0.00018065 0.23049615
0.90025830 0.04028829 0.63309420
0.98821798 0.86388776 0.59798612
0.68471091 0.86837794 0.23881027
0.75663043 0.88735842 0.59013130
0.75598248 0.61740295 0.28476442
0.50763666 0.62229185 0.28249184
0.62224017 0.49756397 0.33757994
0.87352772 0.74850820 0.44149026
0.62786853 0.74972963 0.33635839
0.87464459 0.99876075 0.44232503
0.00704202 0.87710592 0.39221930
0.74974720 0.87569334 0.38800733
0.74611123 0.62238018 0.49495683
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0.83159796 0.37171164 0.16486809
0.81544321 0.87294022 0.16711552
0.74607586 0.70411132 0.64425727
0.87802717 0.37242363 0.62850283
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0.11837344 0.91891554 0.22791555
0.62553342 0.41929107 0.22569233
0.62211067 0.92210547 0.22945865
0.31371017 0.43785709 0.14960294
0.34430311 0.94161070 0.15246251
0.84843371 0.44555004 0.15159326
0.83552569 0.94561524 0.15329484
0.24768895 0.13386672 0.62301736
0.27493419 0.61625243 0.67976279
0.25675613 0.61708912 0.62110862
0.27816220 0.13201394 0.68065688
0.83202803 0.38935234 0.69240948
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0.86277514 0.10428224 0.66092519
0.67307551 0.61559803 0.64885553
0.80144063 0.42069083 0.64231619
0.31942578 0.62688346 0.64875284
0.31658383 0.12319997 0.64861201
359.16747114
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