data.metalnpt02

LAMMPS data file via write_data, version 8 Feb 2023, timestep = 100000

200 atoms
1 atom types

-11.876696863105703 11.876696863105703 xlo xhi
-11.876696863105703 11.876696863105703 ylo yhi
-11.876696863105703 11.876696863105703 zlo zhi

Masses

1 39.948

Pair Coeffs # lj/cut

1 0.00965188 3.4

Atoms # atomic

39 1 -10.348412656724513 -8.709686235988883 -8.4270990310572 0 -1 1
57 1 -6.076254771403757 -9.286388884881402 -7.702702502017148 1 0 0
82 1 -7.550388144071918 -7.009510153923324 -10.103430125234938 0 0 0
65 1 -10.007477542149314 -8.426774632489874 11.409858756818739 0 -1 -1
8 1 -7.164995520412905 -11.038468804393306 -10.58636480246276 0 1 1
49 1 -0.45959797061569213 -8.711842576893478 -7.759689256680434 0 1 0
54 1 4.335836096446666 -9.860468354448713 -9.596810041931791 0 -1 1
102 1 2.5723817340883883 -6.321599469181216 -10.836018784654463 1 -1 -1
114 1 3.9633708583907534 -8.59122246718616 -6.211421303718058 -1 0 1
128 1 1.6111319524977374 11.42178725036819 -7.424763349756333 0 0 -2
157 1 6.676723241532642 -6.249807038476984 -7.434858543313773 -1 0 1
20 1 8.180031746693997 -11.224906976375225 -9.914700910890055 0 1 0
147 1 10.552595438745763 -5.846535200951102 -9.39377855844701 -1 2 0
169 1 9.349136090221942 -8.979140149397233 -6.8265579785125965 0 1 1
123 1 -6.855446583817184 -3.2640394531559696 -10.949254791001273 -1 0 -1
130 1 -6.535059536526429 -2.567484128692307 -7.041716414515715 -1 1 0
140 1 -9.06855871809178 -1.3542845787289544 -9.224892837601802 -1 1 0
153 1 -4.569518029474378 -5.203914109037015 -8.781875667281184 0 1 0
129 1 -0.2299073567614939 -5.077417463604178 -8.55580527821163 0 1 1
148 1 -3.144987560803104 -2.0908434236033218 -9.879429686918634 0 0 0
119 1 -3.5411143846194992 -3.8360561641889532 10.696563632316428 0 -1 -1
134 1 -0.04545170129816967 -0.3594090384455699 -8.557611667254108 -1 0 2
174 1 3.1061081743214345 -1.9799957752444968 -10.724581364205001 -1 1 -1
189 1 2.8769937819916396 -1.3674240720053161 -6.389788220787231 0 0 2
28 1 6.237115641177313 -1.1545998190288946 -9.272228860156012 0 0 -1
1 1 7.549394959535029 -2.854734791893552 -6.538590887699934 1 -1 0
24 1 10.883729099000904 -2.1271876989337706 -8.117545982704844 0 -1 1
176 1 10.267930709995003 -3.6438442151633126 -4.343476582694092 0 0 0
182 1 -10.786266284256198 0.5593263120798149 -5.188887623332871 0 1 -1
137 1 -8.253864841052525 3.7298295620111226 -8.568533527553154 -1 1 0
89 1 -5.794201120520342 0.9380076791670935 -8.557102414588634 0 0 -1
88 1 -3.290466618666769 2.666597373561615 -10.965754432660972 0 1 -1
160 1 -0.18201736379451042 5.440877252854083 -6.045408976448922 0 0 1
125 1 -3.2721098231201498 3.482326329512073 -7.20800643325733 0 1 0
167 1 2.6838478408055124 2.662941774470184 -7.446400398896404 0 1 0
107 1 2.461769881852174 1.4723823486650787 -11.23948224456525 -1 1 1
45 1 -0.32643148409171074 3.4132158246810462 -9.890588978502432 0 1 0
95 1 7.12050576869771 1.8830305880227627 -11.021337217501824 0 2 -1
111 1 11.302810293745958 1.3519264206984616 -8.432303785348612 0 1 1
37 1 7.499987535787309 1.5957548452787924 -7.727720303674275 1 0 2
53 1 9.440512427968931 5.294797843867766 -10.137582763727357 -1 -1 1
122 1 -8.602536179448315 11.512272015578171 -7.106756749836173 2 -1 -1
126 1 -8.684507097426447 9.102724910576027 -10.228076159133025 0 0 -1
72 1 -11.212168106684132 7.24750708554837 10.879317278944692 2 0 0
144 1 -3.026583839716779 -9.884067057114146 -9.895519067990667 0 1 1
135 1 -0.0021296445465068814 7.861337183488864 -8.408004375424728 1 0 0
183 1 2.8552963287326403 5.197557014594176 -10.04944592034365 0 0 0
155 1 3.763607040992876 9.197661654352766 -9.383705258407385 0 0 0
21 1 6.743085276662367 6.819489412060577 -8.245771575257553 1 0 0
66 1 9.52403312105875 7.459476022143324 -6.138585785756646 -2 -1 0
42 1 9.12856561120073 9.359598065403702 -10.255808680046007 -1 1 0
22 1 11.084937277836246 10.7346270298744 -6.189336343510782 -1 0 0
47 1 -8.79851480543095 -8.030651717047036 -5.3995272670275725 1 2 1
77 1 -6.824604399212273 -10.927075660857042 -3.894519486445894 1 -1 1
18 1 -10.638894292838417 -11.301447222259686 -3.92180055862298 1 0 -1
46 1 11.290286356240586 -7.674430365874162 -4.055829279128204 1 0 -2
14 1 -9.506577112536185 -7.441780453176744 -2.0080876276818103 -1 0 2
178 1 -4.543756730558393 -8.097143654115143 -4.784790404681888 2 1 0
48 1 -3.2444312260629573 -10.940861821243079 -6.354255167480908 1 1 -1
55 1 -0.9464860706310958 -6.285996525353373 -4.30908825600282 -1 0 -1
12 1 -1.856123326430506 -9.517447392023085 -2.3435724928975645 -1 0 2
15 1 6.077305695814157 -8.166300444221115 0.7448836933119019 -1 0 -1
64 1 2.7452944971646858 -10.558129575009149 -1.730050297615053 1 1 0
44 1 8.116024736633927 -6.297043957734161 -3.618119081228304 -1 0 1
188 1 9.990490631214506 -8.453825757862562 -0.7847723993749525 -1 0 0
200 1 -9.371399961242005 -3.371895968187197 -5.193597997968697 -1 0 0
198 1 -7.163187216472317 -1.1934858004192783 -2.2622400054633864 0 0 1
76 1 -9.919958613706985 -3.040871792288106 -1.4149931903428534 1 0 0
194 1 -6.743945843921815 -5.005230021567819 -2.613393963742155 0 1 -1
68 1 -2.5671189668335317 -3.434435519320573 -6.1465461411366 0 1 1
96 1 -3.430661147431614 -4.018545052073527 -2.021400662533695 -1 2 0
91 1 2.9683873682514026 -6.254217834947031 -2.3589109971891737 1 -1 -1
154 1 -0.2218228203315391 -2.902150057925404 -2.9725706529414366 -1 2 0
19 1 3.2665435171804194 -1.9817522239515633 -2.3096363660640975 0 1 -1
120 1 6.609146288179666 -2.2318382061287565 -2.808377349441308 1 1 1
138 1 9.631227201052864 -4.547744518411388 -0.6709487904267171 -1 1 -1
9 1 7.596887391638223 -2.0237588049028696 0.6051605861836649 0 0 1
150 1 -10.044973671786467 2.0147581633676452 -1.3897952482345524 1 -1 1
38 1 -5.7978106400822895 4.770632320137689 -4.758054319452569 1 0 2
172 1 -9.658785222083136 4.026164557116778 -4.942402258050777 0 0 2
152 1 11.431334273176418 -0.4623515239881826 -1.925450909701469 -2 -1 0
29 1 -7.909238416570071 7.61624491229837 2.2042493522591258 1 -1 -1
87 1 -3.3103551172038665 -0.94337019011639 -3.5930404382745955 0 -1 1
93 1 -6.2863195662557 0.9404795536165196 -4.898675396085437 0 -1 1
195 1 1.0245553543549981 0.20159488775043144 -3.679042462676364 1 -1 3
149 1 -2.269526344184385 2.8074136653426387 -2.5814855370744945 1 0 0
25 1 4.649154714287583 1.2394738761102164 -0.6186508337325307 -1 0 1
35 1 2.8516234465534787 3.745844200453856 -3.7667964552544286 1 -1 0
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116 1 6.001522247841404 5.755884373452364 -5.02433183427119 0 1 0
112 1 4.844016623012077 5.465934695953432 -0.25432767294668557 -1 0 0
132 1 8.53939720077536 1.8213558063438606 -1.3830903771567364 0 0 0
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161 1 -11.50425364162053 7.022415057658153 -3.488322518144713 2 0 2
78 1 -1.7469625877850241 10.184158454427994 -1.7648096425042503 1 -2 1
11 1 4.444644958846757 11.851997915189173 -4.933412264679578 0 1 1
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124 1 -11.142069858043358 -8.82667541719755 4.10932707265772 1 0 -2
121 1 -8.21003433895173 -10.089956822420406 6.660752548831763 0 1 -1
80 1 -4.909425537698309 -7.256236799158399 -0.2747148144591023 0 0 1
101 1 -4.312342956814611 -8.070113074572049 4.879741561255617 1 3 1
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81 1 7.27113702294054 -8.472013640467047 6.625505444757195 -1 1 1
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166 1 -8.69650192512206 -5.07362796560642 4.236148217669305 0 2 0
40 1 -6.987849762900474 -4.511534637942379 1.3175075163680883 1 1 0
127 1 -5.689629608203652 -2.3907227510814337 3.9463589292537864 0 -1 0
104 1 -0.4397363632556015 -0.6165598923688651 -0.3313279093278112 -1 0 -1
151 1 0.4300685018079994 -6.441488457556783 0.38045612640805615 0 1 2
60 1 -2.3217820522915846 -2.1704723730197557 5.333166404467865 0 1 0
168 1 3.9149834819211655 -3.3791911515481985 0.7567189672094479 -1 1 -1
51 1 0.398133835057336 -3.3931578730294385 3.016370538231655 0 0 -1
97 1 2.1573351041413034 -0.0855884286300217 2.2286851783702524 0 -1 -1
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85 1 10.229250850148503 -0.01502947727190853 5.300096059690905 1 0 1
63 1 -8.263417127255543 -0.18022873161562153 1.17510825734459 -1 0 1
133 1 -10.480766232506394 2.392923584409271 3.720879727063737 1 1 0
67 1 -6.544234163722191 3.501038541004621 3.191437971422375 1 0 0
83 1 -3.849802400718045 0.6646468573486004 2.7446055069817703 0 -2 1
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31 1 1.0738987741436463 4.15303788757344 6.141061091921109 0 -2 0
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108 1 6.174388178357244 0.8538858651722911 3.6472942727893374 1 1 0
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110 1 -11.336507152318017 5.947474598331584 3.14037651741927 0 0 -2
50 1 -7.046202899905131 11.083294806174674 4.036430331092051 0 0 0
191 1 -8.508890702823583 6.994301261898876 5.5988324620755945 1 -1 0
187 1 -10.749519222803974 11.280267500561628 5.071750333310352 1 1 0
180 1 -1.0032349913124285 6.140237973021502 -1.7436540397788036 1 -1 2
2 1 -1.7946548786825645 5.404613901091388 2.68002365908378 1 -2 -1
30 1 -0.6282593143948212 8.881746166196663 1.2420280890418454 1 -2 -1
17 1 -1.9971151666590217 8.252473054961822 5.30244560397972 -2 0 -1
7 1 4.0488432159812255 8.81693522673231 1.6114995620401231 -1 0 1
164 1 1.873438403508949 6.222826359057496 2.2533705281578316 -1 0 0
69 1 4.6051775335846745 6.921132428828564 5.128620799236167 0 -2 -1
61 1 10.268176907196304 5.08172043450454 -0.642274843845057 -1 -2 0
34 1 7.601946368008498 9.256904252690223 2.406585955238384 0 0 -1
43 1 7.165450199452092 6.0290506218302085 2.4419163969738023 -1 -2 1
177 1 8.561622776612461 7.244917835893727 5.602147565752702 -1 1 -1
179 1 11.750057623239174 -11.228395927014766 -10.487778908482419 -1 3 2
27 1 -10.974224751020245 -11.635298968202441 8.509409995684443 1 1 1
58 1 -9.692847117546727 -6.99702076150861 8.089242933510139 -1 0 -1
32 1 -6.165044846878473 -5.3531372054847 6.419358142287187 2 1 -2
26 1 -5.15775210282499 -8.509724647787523 9.35521475378418 1 0 0
142 1 -2.2394120995772013 -6.757001235575803 8.53817557952535 2 1 0
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184 1 7.329483236732028 -7.477553906204161 -11.457403276020457 0 1 2
105 1 1.3124523565691075 -7.852976862538032 4.005035595809602 0 0 -1
75 1 4.597924698307231 -6.283694211187047 5.476806400599068 0 -1 0
99 1 1.716773073271929 -10.998458790026556 10.715096401091909 0 0 0
193 1 2.1325154242736666 -6.931854968739277 9.419307764840358 1 1 -1
33 1 4.48712925680286 -11.671378658171115 7.267170381111049 0 -1 0
79 1 8.573107089496888 11.611228502272368 5.983087465760138 -1 0 0
92 1 9.81601068917706 -9.527916362770739 11.159627680682005 0 2 -1
165 1 -9.2113400341349 -3.219195257680457 7.288219778779848 0 0 0
199 1 -6.931272020823427 -5.000130571946396 9.88597891452116 0 -1 1
70 1 -5.507541862888313 -2.393142934597723 7.807143673901248 0 1 1
146 1 -1.4771503758916822 -0.5410305896302106 11.279923136114263 2 1 1
106 1 -1.3651808664767915 -2.54616781259121 8.590647351661577 0 0 -1
52 1 0.6779843498698166 -3.7311606456725768 11.453754175953545 0 0 0
86 1 5.4031998049641565 -4.549788149287394 8.596350093940629 -1 0 1
197 1 1.573548668834416 -4.687213943022477 7.1278633337641 -1 0 -1
185 1 2.1532991864501554 -0.6046775517606129 10.000779301772766 -2 1 -2
190 1 7.401787297285096 -0.2505978640044338 9.870584022136198 0 0 -1
145 1 7.111702440333872 -3.6540730490844453 -11.814469255040187 -1 -2 0
131 1 11.130905707249603 -5.281990426153451 6.209567942496238 1 0 0
156 1 -5.482768650143603 -0.4312680407464029 11.466238929392272 0 -1 -1
10 1 -9.053182404201642 -0.711645217691651 4.8230146575990815 0 0 2
196 1 -9.337441409320208 0.1609718702750058 8.663781619737854 1 2 1
143 1 -7.17068301465806 3.0756929715249197 8.74321294778271 1 0 0
13 1 -11.784452395762827 3.289072175663378 7.001527553636599 -1 -1 1
59 1 -3.4378714190696336 1.7721863061771366 9.36771463550879 1 -1 1
186 1 0.1662370132365254 2.5243181917810595 9.709168312215267 1 1 0
136 1 3.4094152339708126 2.153729603693705 8.008621315534214 0 -1 -3
192 1 10.489678729236587 2.4935818679754185 9.842929691077494 1 1 1
113 1 7.1536296108923345 2.1797090477435894 6.8304033834765505 -1 -1 -1
62 1 3.9169396613561496 6.861682724751661 8.976027690230366 1 0 0
74 1 -8.118378807759774 9.793902614888827 8.932362315849124 1 -1 0
118 1 -11.58583737453999 8.536873240765573 7.014861349235567 0 1 0
117 1 -5.277108589074334 11.352800033973235 7.597327201748058 -1 -1 0
23 1 -5.157626384085098 5.75340956696832 11.215724105856438 0 0 -2
171 1 -4.306475221375887 7.1666374724202555 7.827635610104089 0 2 -2
94 1 0.5173001347371304 9.700900025717369 9.033047100941438 -1 0 0
41 1 5.490142462338115 11.510392579949611 11.613725539319557 0 0 -1
141 1 9.87566572043054 5.774221219191659 9.0665289512053 1 -1 -1
159 1 9.686865955901812 9.753371327924555 9.75057962979839 0 -1 0

Velocities

39 -1.9399818993193945 -6.2245952285602995 3.5338548174142916
57 1.5287860491005811 -2.72214429330134 2.2456706435699694
82 4.011405667244886 1.5297461738282854 -0.00848199347765205
65 -8.99687886174914 -3.5904944014362874 -0.24257004026483364
8 1.3456043077490425 -2.128460026427474 0.5438548397418695
49 3.9804563992312922 -6.033137289721198 -2.4992971438276896
54 -0.8797092038138496 -4.4441361344158485 -1.158307352101043
102 -1.6073661483672754 -6.3013772766305705 -0.8971841583061024
114 4.952776653242985 1.9508143607180544 -4.637659613505405
128 -1.269058654850369 2.9109256516813193 0.4053666332013952
157 -1.0484348115580815 1.3302695757858152 -2.3230656835483483
20 1.6286859684439459 0.8384182438479687 3.337320080806048
147 1.7009416069818912 -1.6078420463299883 0.41513271531119245
169 4.488200687237288 -6.490934602483694 0.13987631822178037
123 -2.8913963004993426 7.445402407235762 -0.2708525381058624
130 -1.3405859620177862 1.4399831113332697 0.048073865645907876
140 5.071347652434061 -0.6702612789643095 4.605780995472893
153 -3.7972143859475698 -0.514917067426214 -4.9181301157390225
129 -0.524987732421045 -3.209340969084892 2.932495986872108
148 -5.447057077277419 -1.4060679681657386 -5.483184347880067
119 -2.5629223421862375 1.3882127095818109 2.83591016397441
134 -1.3621064953428361 4.288456433365155 -1.6190478694645496
174 1.7758446648889914 4.86331991854285 1.1265592480566544
189 -2.1997618638118066 -5.481413979755256 -1.086026577758521
28 0.47277982211285713 -2.417172577737755 -1.932990476216946
1 0.6703800334847378 0.767366418061703 0.19201532965448842
24 0.04297238333671294 5.144308305848863 0.078997482901074
176 0.4965479246937361 -0.13321844730810892 -0.13420426694661658
182 -0.03943631525057928 -0.4576897656157408 5.202139202652978
137 3.3038160138315282 -2.8142339694373977 5.5902387847740025
89 -0.7210799083306686 1.5890809944259632 -0.7203455040724582
88 1.0693506358892855 0.004219772825099388 -0.34637529725335453
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