1933 lines
250 KiB
Plaintext
1933 lines
250 KiB
Plaintext
# Bulk.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1 8 198.155287 -38.7142527 -38.72767843 0.001678216549 6.295437039e-14 0 1.001296846e-14
|
|
# EOS.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
2 4 100.2503986 -19.34119279 -19.33946215 0.0004326611879 0.06711672157 0.004696 0.01040891634
|
|
3 4 87.78666244 -18.97507078 -18.99216114 0.004272590246 0.0921948579 0.015096 0.01790247305
|
|
4 4 84.97085209 -18.74485578 -18.75980296 0.003736795403 0.1445652479 0.026416 0.0285296792
|
|
5 4 82.52133779 -18.48336398 -18.49408247 0.002679621564 0.204459569 0.036914 0.04029250893
|
|
6 4 80.35345611 -18.19667652 -18.20222587 0.001387336859 0.2609967925 0.055734 0.05282608186
|
|
7 4 78.40832856 -17.88702363 -17.88899513 0.0004928743307 0.3331404351 0.063452 0.06612221232
|
|
8 4 76.64099144 -17.5584741 -17.55730043 0.0002934176408 0.4032831914 0.080334 0.08066051764
|
|
9 4 75.04528905 -17.21835854 -17.2153404 0.0007545342183 0.5044230229 0.087346 0.09875170581
|
|
10 4 73.54481067 -16.85564361 -16.85354169 0.0005254799895 0.6206833374 0.104282 0.1209082138
|
|
11 4 95.10547773 -19.29849191 -19.30657301 0.002020274276 0.01107877122 0.007376 0.0006388833987
|
|
12 4 91.0912603 -19.16490969 -19.18005062 0.003785233211 0.04261952943 0.009042 0.008630599736
|
|
13 4 133.5525685 -17.87016662 -17.83772988 0.00810918539 0.06023506826 0.00984 0.01168970277
|
|
14 4 103.4647206 -19.30816075 -19.30159325 0.001641875814 0.08325884021 0.004756 0.01308430812
|
|
15 4 107.3699915 -19.20438939 -19.20780056 0.0008527912821 0.05045401328 0.000514 0.008330624503
|
|
16 4 112.3942784 -19.0449568 -19.02621709 0.004684928181 0.06542263844 0.00049 0.01083729791
|
|
17 4 119.5073443 -18.7116458 -18.68388388 0.00694047906 0.03149028764 0.005468 0.006171255461
|
|
18 8 125 -24.90402469 -24.90732287 0.0004122725924 2.120052354e-13 0 3.533631721e-14
|
|
19 8 125.751501 -25.32593152 -25.33111609 0.000648070627 1.855681908e-13 0 2.977248078e-14
|
|
20 8 125 -34.1306733 -34.11351114 0.00214526983 2.107129136e-14 0 3.234263281e-15
|
|
21 8 126.506008 -25.73866893 -25.74566406 0.0008743906955 3.068919123e-13 0 5.246728977e-14
|
|
22 8 127.263527 -26.14241366 -26.1510292 0.001076942689 4.443348898e-13 0 7.630007737e-14
|
|
23 8 128.024064 -26.53733606 -26.54747446 0.001267300611 3.650160727e-13 0 6.500355809e-14
|
|
24 8 128.787625 -26.92360021 -26.93512423 0.001440502614 2.360835421e-13 0 3.975523614e-14
|
|
25 8 129.554216 -27.30136406 -27.3140736 0.001588692672 3.658450198e-13 0 6.010007307e-14
|
|
26 8 130.323843 -27.67077954 -27.68445805 0.001709813913 1.712785934e-13 0 2.999452538e-14
|
|
27 8 131.096512 -28.03199274 -28.04644254 0.001806225048 1.533791492e-13 0 2.552587771e-14
|
|
28 8 131.872229 -28.38514408 -28.400158 0.001876739913 1.164238116e-13 0 2.002102188e-14
|
|
29 8 132.651 -28.7303685 -28.74572124 0.001919092806 2.893581151e-13 0 4.934941344e-14
|
|
30 8 133.432831 -29.06779564 -29.0832711 0.001934432199 1.391778701e-13 0 2.377727644e-14
|
|
31 8 132.651 -35.59602814 -35.60415475 0.001015826139 1.122420132e-13 0 1.753298217e-14
|
|
32 8 134.217728 -29.3975501 -29.41294262 0.001924065454 3.038656689e-13 0 4.987676938e-14
|
|
33 8 135.005697 -29.71975159 -29.73481243 0.001882604646 1.515014749e-13 0 2.575717417e-14
|
|
34 8 135.796744 -30.03451525 -30.04902687 0.001813952399 2.876096334e-13 0 4.718910448e-14
|
|
35 8 136.590875 -30.34195182 -30.35573414 0.001722790348 3.38400877e-13 0 5.85411349e-14
|
|
36 8 137.388096 -30.64216792 -30.65504269 0.001609346582 4.726965504e-13 0 8.307706375e-14
|
|
37 8 138.188413 -30.93526631 -30.94704781 0.001472687261 4.109208686e-13 0 6.826483823e-14
|
|
38 8 138.991832 -31.22134616 -31.23186179 0.001314453749 1.218514658e-13 0 2.031245542e-14
|
|
39 8 139.798359 -31.50050329 -31.50962505 0.001140220421 2.015321164e-13 0 3.149332647e-14
|
|
40 8 140.608 -31.77283045 -31.78044211 0.0009514570428 2.106780929e-13 0 3.373227623e-14
|
|
41 8 141.420761 -32.03841763 -32.04448224 0.0007580758701 3.291275771e-13 0 5.363764988e-14
|
|
42 8 140.608 -36.55772971 -36.57876366 0.002629243454 9.469273174e-14 0 1.522483356e-14
|
|
43 8 142.236648 -32.29735228 -32.30180778 0.0005569373789 2.195289666e-13 0 3.634130034e-14
|
|
44 8 143.055667 -32.54971961 -32.55240718 0.0003359460022 2.564620474e-13 0 4.091171846e-14
|
|
45 8 143.877824 -32.79560287 -32.79646907 0.0001082748383 1.388261422e-13 0 2.455905849e-14
|
|
46 8 144.703125 -33.0350836 -33.0341342 0.000118675575 8.878230772e-14 0 1.40350694e-14
|
|
47 8 145.531576 -33.26824192 -33.26546078 0.0003476429419 1.107578655e-13 0 1.813364274e-14
|
|
48 8 146.363183 -33.49515677 -33.4905808 0.0005719957242 1.124750174e-13 0 1.83973207e-14
|
|
49 8 147.197952 -33.71590615 -33.70959217 0.0007892472898 1.581120916e-13 0 2.577105196e-14
|
|
50 8 148.035889 -33.93056741 -33.92253789 0.001003690304 1.601498541e-13 0 2.389292468e-14
|
|
51 8 148.877 -34.13921746 -34.12960189 0.001201946146 1.299656777e-13 0 2.102484853e-14
|
|
52 8 149.721291 -34.34193297 -34.3308093 0.001390459219 2.114973405e-13 0 3.46759658e-14
|
|
53 8 148.877 -37.11337019 -37.12608044 0.001588781299 4.438547723e-14 0 6.519942956e-15
|
|
54 8 150.568768 -34.53879064 -34.52629014 0.001562562212 3.57767505e-13 0 5.77038417e-14
|
|
55 8 151.419437 -34.72986733 -34.71610965 0.001719709628 1.129431907e-13 0 1.711131237e-14
|
|
56 8 152.273304 -34.9152403 -34.90038699 0.001856663168 9.209632916e-14 0 1.458092906e-14
|
|
57 8 153.130375 -35.09498734 -35.07920914 0.001972275052 1.651847707e-13 0 2.654358215e-14
|
|
58 8 153.990656 -35.26918695 -35.25266839 0.002064820348 2.178540205e-13 0 3.863113533e-14
|
|
59 8 154.854153 -35.43791845 -35.42083938 0.002134883141 2.275918207e-13 0 3.872827984e-14
|
|
60 8 155.720872 -35.60126206 -35.58377308 0.002186122667 2.013056315e-13 0 3.199292683e-14
|
|
61 8 156.590819 -35.75929906 -35.74165769 0.002205171711 3.270916194e-13 0 5.238864897e-14
|
|
62 8 157.464 -35.9121118 -35.89454795 0.002195480918 1.566843717e-13 0 2.638630055e-14
|
|
63 8 158.340421 -36.05978373 -36.04247856 0.002163146364 1.471988685e-13 0 2.336556874e-14
|
|
64 8 157.464 -37.32735447 -37.32262953 0.0005906170637 3.985130574e-14 0 5.104321388e-15
|
|
65 8 159.220088 -36.20239947 -36.18557035 0.00210364029 1.763124698e-13 0 2.87964097e-14
|
|
66 8 160.103007 -36.34004476 -36.32389911 0.002018206127 5.697726866e-14 0 9.344377124e-15
|
|
67 8 160.989184 -36.47280642 -36.45752485 0.001910196485 1.975928454e-13 0 2.924975077e-14
|
|
68 8 161.878625 -36.60077232 -36.58655803 0.001776786564 1.555190252e-13 0 2.624289674e-14
|
|
69 8 162.771336 -36.72403126 -36.71102998 0.00162516042 1.412460708e-13 0 2.504940699e-14
|
|
70 8 163.667323 -36.84267287 -36.83107858 0.00144928636 2.003522571e-13 0 3.272844958e-14
|
|
71 8 164.566592 -36.95678745 -36.94671248 0.001259371456 2.802794912e-13 0 4.816517555e-14
|
|
72 8 165.469149 -37.06646582 -37.05803876 0.001053382772 1.501596136e-13 0 2.396925251e-14
|
|
73 8 166.375 -37.17179911 -37.16514204 0.0008321341323 5.511762558e-14 0 8.525587643e-15
|
|
74 8 167.284151 -37.27287855 -37.26803657 0.0006052473145 9.834232472e-14 0 1.762479052e-14
|
|
75 8 166.375 -37.24337005 -37.23643929 0.0008663449821 7.193383609e-14 0 9.097007751e-15
|
|
76 8 168.196608 -37.3697952 -37.36679872 0.0003745603949 1.247370278e-13 0 2.163547119e-14
|
|
77 8 169.112377 -37.46263974 -37.46157771 0.0001327534529 1.644603556e-13 0 2.518124598e-14
|
|
78 8 170.031464 -37.55150212 -37.55237754 0.0001094280476 1.000876217e-13 0 1.617918762e-14
|
|
79 8 170.953875 -37.63647131 -37.6392704 0.0003498868469 1.237283914e-13 0 2.00719071e-14
|
|
80 8 171.879616 -37.71763497 -37.72232209 0.0005858902543 1.1589855e-13 0 1.841351146e-14
|
|
81 8 172.808693 -37.79507914 -37.80157766 0.0008123150872 1.562897313e-13 0 2.502165142e-14
|
|
82 8 173.741112 -37.86888791 -37.87745843 0.001071315566 9.890270877e-14 0 1.448378454e-14
|
|
83 8 174.676879 -37.93914308 -37.94934999 0.001275863594 4.971171589e-14 0 7.433868336e-15
|
|
84 8 175.616 -38.00592389 -38.01765923 0.001466916916 2.357725957e-13 0 4.002816597e-14
|
|
85 8 176.558481 -38.06930668 -38.08244214 0.001641931917 9.399919782e-14 0 1.53233907e-14
|
|
86 8 175.616 -36.91159044 -36.92303918 0.0014310923 1.339836444e-13 0 2.427135868e-14
|
|
87 8 177.504328 -38.12936462 -38.14373382 0.001796150207 8.346269116e-14 0 1.405126016e-14
|
|
88 8 178.453547 -38.18616744 -38.20162048 0.001931630609 7.090560403e-14 0 1.097039126e-14
|
|
89 8 179.406144 -38.23978123 -38.25614712 0.00204573683 2.0462588e-13 0 3.108624469e-14
|
|
90 8 180.362125 -38.29026825 -38.30736293 0.002136834871 1.332582387e-13 0 2.197316403e-14
|
|
91 8 181.321496 -38.33768682 -38.35533434 0.002205940396 2.138344018e-13 0 3.67298784e-14
|
|
92 8 182.284263 -38.3820912 -38.40014053 0.002256166343 9.767720229e-14 0 1.706389659e-14
|
|
93 8 183.250432 -38.42353164 -38.44178079 0.002281143553 5.579154461e-14 0 9.012466699e-15
|
|
94 8 184.220009 -38.46205442 -38.48039501 0.002292573571 1.271642832e-13 0 2.144118216e-14
|
|
95 8 185.193 -38.497702 -38.51595497 0.002281621574 9.534022447e-14 0 1.486658019e-14
|
|
96 8 186.169411 -38.53051324 -38.54855587 0.00225532886 1.343761993e-13 0 2.300705922e-14
|
|
97 8 185.193 -36.40728171 -36.42582461 0.002317863018 3.728109844e-14 0 5.238184183e-15
|
|
98 8 187.149248 -38.56052374 -38.57822204 0.002212287058 1.210326629e-13 0 2.001177002e-14
|
|
99 8 188.132517 -38.58776624 -38.60507996 0.002164215247 1.827469955e-13 0 2.709002004e-14
|
|
100 8 189.119224 -38.61227107 -38.62911702 0.002105744085 1.11818836e-13 0 1.864538616e-14
|
|
101 8 190.109375 -38.63406676 -38.65037737 0.002038826527 4.734898438e-14 0 8.10983225e-15
|
|
102 8 191.102976 -38.65318065 -38.66895988 0.00197240398 4.766169611e-13 0 7.396340485e-14
|
|
103 8 192.100033 -38.66963957 -38.68491445 0.001909359901 3.949754638e-14 0 6.445365075e-15
|
|
104 8 193.100552 -38.68347056 -38.69826028 0.0018487148 6.030624548e-14 0 9.948928255e-15
|
|
105 8 194.104539 -38.69470157 -38.70903762 0.001792006038 9.213473725e-14 0 1.528927448e-14
|
|
106 8 195.112 -38.70336215 -38.71735037 0.001748527793 1.109561733e-13 0 1.686310235e-14
|
|
107 8 196.122941 -38.70948404 -38.72316577 0.001710215895 6.429045107e-14 0 1.149239847e-14
|
|
108 8 195.112 -35.7778757 -35.78277343 0.00061221655 2.431616332e-14 0 3.581646775e-15
|
|
109 8 197.137368 -38.71310172 -38.72661844 0.001689590126 5.158256025e-14 0 8.690964615e-15
|
|
110 8 198.155287 -38.7142527 -38.72767843 0.001678216549 6.295437039e-14 0 1.001296846e-14
|
|
111 8 199.176704 -38.71297772 -38.72640441 0.001678335766 1.486959607e-13 0 2.249314739e-14
|
|
112 8 200.201625 -38.70932072 -38.72284809 0.001690921727 7.483452632e-14 0 1.283796564e-14
|
|
113 8 201.230056 -38.70332849 -38.71708504 0.001719568745 7.139256276e-14 0 1.011472084e-14
|
|
114 8 202.262003 -38.69505027 -38.70909826 0.001755998973 6.964302642e-14 0 1.121769778e-14
|
|
115 8 203.297472 -38.68453702 -38.69896441 0.001803424077 1.020500203e-13 0 1.557006477e-14
|
|
116 8 204.336469 -38.67184068 -38.68669915 0.001857308565 9.935211667e-14 0 1.716416722e-14
|
|
117 8 205.379 -38.65701341 -38.67236985 0.001919555536 8.333501328e-14 0 1.49671038e-14
|
|
118 8 206.425071 -38.64010685 -38.65601166 0.001988100659 3.510246123e-14 0 6.352462501e-15
|
|
119 8 205.379 -35.04118028 -35.02683676 0.001792939447 5.615527816e-15 0 6.958062516e-16
|
|
120 8 207.474688 -38.62117171 -38.63763952 0.002058475908 6.191049403e-14 0 9.797560927e-15
|
|
121 8 208.527857 -38.60025741 -38.61729887 0.002130182498 4.810564452e-14 0 6.746513099e-15
|
|
122 8 209.584584 -38.57741206 -38.59504202 0.002203745201 3.945529953e-14 0 6.402572273e-15
|
|
123 8 210.644875 -38.55268252 -38.57091757 0.002279381049 3.772859434e-14 0 6.467852489e-15
|
|
124 8 211.708736 -38.52611453 -38.54483207 0.002339693042 8.68311853e-14 0 1.290685828e-14
|
|
125 8 212.776173 -38.49775274 -38.51692278 0.002396254899 3.451612793e-13 0 6.290533311e-14
|
|
126 8 213.847192 -38.46764082 -38.48723722 0.002449550179 4.41984402e-14 0 7.712912938e-15
|
|
127 8 214.921799 -38.4358214 -38.45580608 0.002498084944 1.269043508e-13 0 2.107469528e-14
|
|
128 8 216 -38.40233612 -38.422684 0.002543485334 5.178925639e-15 0 5.181042106e-16
|
|
129 8 217.081801 -38.36722559 -38.38786893 0.002580417895 6.979659645e-14 0 1.140349389e-14
|
|
130 8 216 -34.21158269 -34.18453509 0.003380949962 3.119928743e-14 0 4.049035345e-15
|
|
131 8 218.167208 -38.33052941 -38.35142959 0.002612522434 9.714451465e-17 0 8.67361738e-18
|
|
132 8 219.256227 -38.29228617 -38.31340288 0.002639588684 5.951022605e-14 0 9.329342854e-15
|
|
133 8 220.348864 -38.25253343 -38.27379064 0.002657151706 5.712469007e-14 0 9.946904411e-15
|
|
134 8 221.445125 -38.21130771 -38.2326318 0.002665511067 1.117880436e-13 0 1.878705524e-14
|
|
135 8 222.545016 -38.16864453 -38.18997547 0.002666367484 2.071965859e-13 0 3.870977613e-14
|
|
136 8 223.648543 -38.12457835 -38.14582587 0.002655939449 2.058408579e-16 0 2.197316403e-17
|
|
137 8 224.755712 -38.07914262 -38.10025273 0.00263876354 1.468138905e-13 0 2.651698305e-14
|
|
138 8 225.866529 -38.03236973 -38.05325723 0.002610937175 3.451317917e-13 0 5.350812386e-14
|
|
139 8 226.981 -37.98429105 -38.00487503 0.002572997512 9.348719405e-14 0 1.632837384e-14
|
|
140 8 228.099131 -37.9349369 -37.95513783 0.002525116488 4.463150068e-14 0 7.762309314e-15
|
|
141 8 226.981 -33.30623515 -33.27865849 0.003447082751 3.066484039e-14 0 3.719670099e-15
|
|
142 8 229.220928 -37.88433656 -37.90408137 0.002468100725 7.275703143e-14 0 1.291443804e-14
|
|
143 8 230.346397 -37.8325183 -37.85171281 0.002399313766 4.66192054e-14 0 6.945832798e-15
|
|
144 8 231.475544 -37.77950932 -37.79810848 0.002324894385 5.252166826e-14 0 8.808925811e-15
|
|
145 8 232.608375 -37.72533583 -37.74324741 0.002238947175 3.588132565e-14 0 5.677171696e-15
|
|
146 8 233.744896 -37.670023 -37.68719388 0.002146360408 2.113801663e-16 0 2.312964635e-17
|
|
147 8 234.885113 -37.61359498 -37.62994505 0.002043758624 3.926512526e-14 0 6.50290007e-15
|
|
148 8 236.029032 -37.55607495 -37.57155158 0.001934578684 2.313889636e-16 0 2.428612866e-17
|
|
149 8 237.176659 -37.49748509 -37.51201295 0.001815983009 7.050563351e-14 0 1.218816714e-14
|
|
150 8 238.328 -37.4378466 -37.45137883 0.001691528718 8.610722362e-14 0 1.480181718e-14
|
|
151 8 239.483061 -37.37717976 -37.38964471 0.001558118906 1.122677318e-13 0 1.849215225e-14
|
|
152 8 238.328 -32.34565431 -32.32877917 0.002109392889 5.347012123e-14 0 7.420001288e-15
|
|
153 8 240.641848 -37.3155039 -37.32690218 0.001424784768 1.282578933e-13 0 2.131049966e-14
|
|
154 8 241.804367 -37.25283747 -37.26310398 0.001283313566 1.755416734e-16 0 2.312964635e-17
|
|
155 8 242.970624 -37.18919804 -37.19829938 0.001137667388 1.269457894e-13 0 1.903916839e-14
|
|
156 8 244.140625 -37.12460235 -37.13249287 0.0009863152027 3.905555679e-16 0 3.469446952e-17
|
|
157 8 245.314376 -37.05906633 -37.06573351 0.0008333969247 5.477212815e-14 0 8.960424995e-15
|
|
158 8 246.491883 -36.99260518 -36.99800673 0.0006751932201 2.443436684e-16 0 2.891205793e-17
|
|
159 8 247.673152 -36.92523337 -36.92936808 0.0005168385399 5.486786255e-14 0 9.078386191e-15
|
|
160 8 248.858189 -36.85696471 -36.85984394 0.0003599036232 5.262621823e-14 0 9.020562075e-15
|
|
161 8 250.047 -36.78781241 -36.78941041 0.0001997499438 7.783706765e-14 0 1.266984203e-14
|
|
162 8 251.239591 -36.71778913 -36.7181241 4.187110571e-05 4.870181213e-14 0 7.541999432e-15
|
|
163 8 250.047 -31.3510836 -31.3503623 9.016217495e-05 1.569220498e-14 0 2.183565217e-15
|
|
164 8 252.435968 -36.64690705 -36.64599517 0.0001139850724 2.379336331e-13 0 3.776146063e-14
|
|
165 8 253.636137 -36.57517793 -36.57305178 0.00026576878 4.056560936e-14 0 7.317641863e-15
|
|
166 8 254.840104 -36.50261319 -36.49930427 0.000413614742 1.814593691e-13 0 2.581557653e-14
|
|
167 8 256.047875 -36.42922397 -36.42477099 0.0005566230344 1.022426573e-13 0 1.601352153e-14
|
|
168 8 257.259456 -36.35502125 -36.34947486 0.0006932991765 3.653506149e-14 0 6.150751205e-15
|
|
169 8 258.474853 -36.28001589 -36.27344512 0.0008213459657 3.73558748e-14 0 6.285192274e-15
|
|
170 8 259.694072 -36.20421873 -36.19668091 0.0009422270264 4.680769173e-14 0 7.939540229e-15
|
|
171 8 260.917119 -36.1276407 -36.11922297 0.001052215787 3.570650705e-14 0 6.676950659e-15
|
|
172 8 262.144 -36.0502929 -36.04105252 0.001155047317 3.164944978e-14 0 5.187690555e-15
|
|
173 8 263.374721 -35.9721867 -35.96224375 0.001242869229 2.373291208e-14 0 4.245446587e-15
|
|
174 8 262.144 -30.34107885 -30.35511573 0.00175461053 9.949895322e-15 0 1.499490413e-15
|
|
175 8 264.609288 -35.89333385 -35.88278096 0.001319111554 2.399980443e-14 0 4.296042688e-15
|
|
176 8 265.847707 -35.81374655 -35.80269997 0.001380823022 1.53288925e-13 0 2.661470581e-14
|
|
177 8 267.089984 -35.73343759 -35.72200298 0.001429326121 4.931196072e-14 0 8.483665159e-15
|
|
178 8 268.336125 -35.65242041 -35.6407125 0.001463488356 5.540145777e-14 0 9.575673587e-15
|
|
179 8 269.586136 -35.57070923 -35.55886015 0.001481134516 6.886729291e-14 0 9.846001329e-15
|
|
180 8 270.840023 -35.48831913 -35.47646305 0.001482009877 2.532194272e-14 0 4.016896769e-15
|
|
181 8 272.097792 -35.40526615 -35.3935225 0.001467956588 1.04347186e-14 0 1.733422433e-15
|
|
182 8 273.359449 -35.32156737 -35.31009264 0.001434341872 4.810403626e-14 0 8.166789004e-15
|
|
183 8 274.625 -35.23724099 -35.22614866 0.00138654154 1.570092459e-16 0 9.251858539e-18
|
|
184 8 275.894451 -35.15230639 -35.1417472 0.001319898604 4.509058799e-14 0 7.042688192e-15
|
|
185 8 274.625 -29.33006454 -29.35393013 0.002983199063 3.57676204e-14 0 5.310739806e-15
|
|
186 8 277.167808 -35.06678419 -35.05687287 0.001238915486 7.637055038e-15 0 1.12771482e-15
|
|
187 8 278.445077 -34.98069633 -34.9715572 0.001142390801 2.329455436e-14 0 3.108190788e-15
|
|
188 8 279.726264 -34.89406602 -34.8858121 0.001031740415 7.414847091e-14 0 1.186897802e-14
|
|
189 8 281.011375 -34.80691785 -34.799632 0.0009107312251 2.746830084e-14 0 5.106013991e-15
|
|
190 8 282.300416 -34.71927769 -34.71307221 0.0007756848171 2.745638995e-14 0 4.450722198e-15
|
|
191 8 283.593393 -34.63117271 -34.62612209 0.0006313269271 1.570092459e-16 0 9.251858539e-18
|
|
192 8 284.890312 -34.54263129 -34.53878034 0.000481368577 2.862476485e-14 0 4.862863584e-15
|
|
193 8 286.191179 -34.45368296 -34.45107583 0.0003258910512 5.265851305e-14 0 7.905424001e-15
|
|
194 8 287.496 -34.36435824 -34.36303293 0.0001656643411 1.662148733e-14 0 2.680509171e-15
|
|
195 8 288.804781 -34.27468853 -34.27464647 5.257493757e-06 5.214850899e-14 0 7.762742995e-15
|
|
196 8 287.496 -28.33047355 -28.35738967 0.003364515461 1.333290575e-14 0 1.868992272e-15
|
|
197 8 290.117528 -34.18470585 -34.18592693 0.0001526344838 3.029701906e-14 0 4.645155788e-15
|
|
198 8 291.434247 -34.09444268 -34.09689499 0.0003065386318 2.346379319e-12 0 2.589744825e-13
|
|
199 8 292.754944 -34.00393162 -34.00755617 0.0004530684547 2.190242114e-14 0 3.889105473e-15
|
|
200 8 294.079625 -33.91320512 -33.91794704 0.0005927398445 3.573916544e-14 0 4.989317697e-15
|
|
201 8 295.408296 -33.82229509 -33.82804203 0.0007183672728 1.411445588e-14 0 2.299701228e-15
|
|
202 8 296.740963 -33.73123252 -33.73788122 0.0008310876064 2.339234133e-14 0 3.838653932e-15
|
|
203 8 298.077632 -33.64004702 -33.64736294 0.0009144900027 7.270157167e-14 0 1.328313906e-14
|
|
204 8 299.418309 -33.54876637 -33.55659435 0.0009784975969 2.531275734e-14 0 4.076509818e-15
|
|
205 8 300.763 -33.457416 -33.46561093 0.001024366444 2.022302224e-14 0 3.487408568e-15
|
|
206 8 302.111711 -33.36601847 -33.3743829 0.00104555316 3.71540055e-14 0 5.922436297e-15
|
|
207 8 300.763 -27.3558672 -27.37270755 0.002105043639 6.801455845e-15 0 1.068875406e-15
|
|
208 8 303.464448 -33.27459297 -33.28297289 0.001047489826 2.894496873e-14 0 4.739788567e-15
|
|
209 8 304.821217 -33.18315474 -33.19133336 0.001022326921 3.259815066e-15 0 5.348911418e-16
|
|
210 8 306.182024 -33.09171463 -33.09950342 0.000973598312 1.987655439e-14 0 3.029830076e-15
|
|
211 8 307.546875 -33.0002786 -33.00751748 0.0009048595549 5.724272058e-16 0 7.372574773e-17
|
|
212 8 308.915776 -32.90884736 -32.91533251 0.0008106439924 2.969336915e-14 0 4.270338062e-15
|
|
213 8 310.288733 -32.81741604 -32.82301548 0.0006999296728 3.638078291e-14 0 5.845290795e-15
|
|
214 8 311.665752 -32.72597407 -32.73053126 0.0005696485291 3.554285564e-14 0 5.735424975e-15
|
|
215 8 313.046839 -32.63450511 -32.63790296 0.0004247317369 1.920360169e-14 0 3.071617035e-15
|
|
216 8 314.432 -32.54298721 -32.54515815 0.0002713677551 2.206421661e-14 0 3.047227003e-15
|
|
217 8 315.821241 -32.4513932 -32.45227645 0.0001104062309 1.696693749e-14 0 2.950952109e-15
|
|
218 8 314.432 -26.41476214 -26.40530829 0.001181731704 8.499993976e-15 0 1.059330411e-15
|
|
219 8 317.214568 -32.35969125 -32.35928901 5.027948983e-05 8.683430364e-16 0 9.295226625e-17
|
|
220 8 318.611987 -32.26784566 -32.26618801 0.0002072059961 2.710250122e-14 0 4.492425583e-15
|
|
221 8 320.013504 -32.17581793 -32.17302023 0.000349712615 1.771873954e-14 0 2.938924806e-15
|
|
222 8 321.419125 -32.08356797 -32.07976201 0.0004757453347 3.125763876e-14 0 5.322310631e-15
|
|
223 8 322.828856 -31.99105549 -31.98643212 0.0005779210837 2.095383931e-14 0 3.222980693e-15
|
|
224 8 324.242703 -31.89824145 -31.89303281 0.0006510798232 2.56159825e-14 0 3.895179546e-15
|
|
225 8 325.660672 -31.80508954 -31.7995724 0.0006896426916 1.875853974e-14 0 3.20064627e-15
|
|
226 8 327.082769 -31.71156751 -31.70606552 0.0006877482544 1.36470958e-14 0 2.239319284e-15
|
|
227 8 328.509 -31.61764821 -31.61253519 0.0006391277609 2.652773658e-14 0 4.789031251e-15
|
|
228 8 329.939371 -31.52331038 -31.51893479 0.0005469485826 1.284542182e-15 0 1.866450864e-16
|
|
229 8 328.509 -25.49085762 -25.46097964 0.003734747468 1.534653847e-14 0 2.988530214e-15
|
|
230 8 331.373888 -31.42853884 -31.4253319 0.0004008673531 2.05548609e-14 0 3.591261645e-15
|
|
231 8 332.812557 -31.33332432 -31.33169244 0.0002039846397 2.70987135e-14 0 3.897203359e-15
|
|
232 8 334.255384 -31.23766276 -31.23803137 4.607659399e-05 1.894219518e-14 0 3.330171002e-15
|
|
233 8 335.702375 -31.14155432 -31.14436083 0.0003508138795 9.535431147e-15 0 1.604603333e-15
|
|
234 8 337.153536 -31.04500223 -31.05068709 0.0007106077219 2.31834593e-14 0 3.821042989e-15
|
|
235 8 338.608873 -30.94801169 -30.95700452 0.001124104108 1.67181359e-14 0 2.393068822e-15
|
|
236 8 340.068392 -30.85058901 -30.86332188 0.001591608606 1.326796759e-15 0 2.320297375e-16
|
|
237 8 341.532099 -30.75274107 -30.7696645 0.002115428921 1.711505543e-14 0 2.629317174e-15
|
|
238 8 85.184 -6.91781874 -6.89948088 0.002292232518 6.062844144e-13 0 1.069894374e-13
|
|
239 8 91.125 -14.4369629 -14.49028692 0.006665502722 6.570926909e-14 0 8.974079527e-15
|
|
240 8 97.336 -20.61472513 -20.57465163 0.005009187374 1.541506384e-13 0 2.276862626e-14
|
|
241 8 103.823 -25.39405133 -25.39183412 0.00027715116 1.714429587e-13 0 2.876404916e-14
|
|
242 8 106.496424 -10.11137872 -10.10117778 0.001275117386 3.50156475e-13 0 5.365673184e-14
|
|
243 8 107.171875 -10.82724647 -10.82503199 0.0002768093864 1.796789613e-13 0 3.026080544e-14
|
|
244 8 107.850176 -11.53159366 -11.53495144 0.0004197227736 4.009486356e-13 0 6.738591167e-14
|
|
245 8 108.531333 -12.22433983 -12.23116604 0.0008532764122 5.039310433e-13 0 8.115094245e-14
|
|
246 8 109.215352 -12.90538942 -12.91385694 0.001058440046 5.293258224e-13 0 9.104840724e-14
|
|
247 8 109.902239 -13.5746364 -13.58325688 0.001077560422 4.187060782e-13 0 7.106410368e-14
|
|
248 8 110.592 -14.23196999 -14.23951689 0.0009433627983 5.761754402e-13 0 9.126756064e-14
|
|
249 8 111.284641 -14.87728149 -14.88293767 0.0007070224316 4.215786774e-13 0 6.742870151e-14
|
|
250 8 110.592 -29.12285109 -29.14301897 0.002520984578 4.734798814e-13 0 9.362798312e-14
|
|
251 8 111.980168 -15.51047199 -15.51365959 0.0003984501844 2.968979096e-13 0 4.694508671e-14
|
|
252 8 112.678587 -16.13146066 -16.13191396 5.666232307e-05 5.547563893e-13 0 9.89856345e-14
|
|
253 8 113.379904 -16.74019321 -16.7378373 0.0002944886148 2.834106387e-13 0 4.76389761e-14
|
|
254 8 114.084125 -17.3366497 -17.33167358 0.0006220155195 4.21587897e-13 0 7.079348681e-14
|
|
255 8 114.791256 -17.92085102 -17.91364266 0.0009010450975 3.729284003e-13 0 6.771782209e-14
|
|
256 8 115.501303 -18.49286288 -18.48381583 0.001130880891 4.648654953e-13 0 7.574901354e-14
|
|
257 8 116.214272 -19.0527966 -19.04244391 0.001294086215 3.292879254e-13 0 5.488954199e-14
|
|
258 8 116.930169 -19.60080602 -19.58971605 0.001386246836 3.850707147e-13 0 6.099865983e-14
|
|
259 8 117.649 -20.13708059 -20.12573781 0.001417847131 3.289284989e-13 0 4.895331825e-14
|
|
260 8 118.370771 -20.66183554 -20.6507896 0.001380742126 2.535487533e-13 0 3.824140079e-14
|
|
261 8 117.649 -32.02300608 -32.00130598 0.002712512827 3.874663669e-14 0 6.256966081e-15
|
|
262 8 119.095488 -21.17530111 -21.16497388 0.001290903566 2.125979266e-13 0 3.4434261e-14
|
|
263 8 119.823157 -21.67771287 -21.66845698 0.001156985748 3.804940913e-13 0 6.542451766e-14
|
|
264 8 120.553784 -22.16930493 -22.16144572 0.000982401647 3.990974066e-13 0 6.578707486e-14
|
|
265 8 121.287375 -22.65030645 -22.64405994 0.0007808133394 2.212756636e-13 0 3.890522164e-14
|
|
266 8 122.023936 -23.12094027 -23.1164565 0.000560471146 3.262720311e-13 0 5.239963556e-14
|
|
267 8 122.763473 -23.58142268 -23.5788357 0.0003233728012 4.553300312e-13 0 7.597221463e-14
|
|
268 8 123.505992 -24.03196333 -24.0313324 7.886635967e-05 4.175910148e-13 0 6.208690969e-14
|
|
269 8 124.251499 -24.47276521 -24.47411204 0.0001683534951 2.392421678e-13 0 3.637252536e-14
|
|
# Shear.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
270 8 200.201625 -17.79471256 -17.80095971 0.0007808943549 34.93477356 34.86621731 0.03191102677
|
|
271 8 200.201625 -18.68131072 -18.68039145 0.0001149088037 31.08995391 31.10971303 0.003742291359
|
|
272 8 200.201625 -18.74685769 -18.74847294 0.0002019057056 30.88282161 30.87108939 0.003456164845
|
|
273 8 200.201625 -18.65916996 -18.66050137 0.0001664263927 31.37021721 31.34839688 0.009204293634
|
|
274 8 200.201625 -17.73748678 -17.72226746 0.001902415593 35.40937207 35.4991231 0.0142104708
|
|
275 8 200.201625 -18.61000368 -18.61280191 0.0003497790838 31.47876955 31.47627702 0.002761618926
|
|
276 8 200.201625 -18.77766091 -18.77926611 0.0002006502929 30.77406064 30.75201265 0.004214743953
|
|
277 8 200.201625 -18.79982567 -18.80113601 0.0001637926777 30.74392831 30.70416935 0.006518734155
|
|
278 8 200.201625 -18.58554482 -18.58622087 8.450631245e-05 31.52252685 31.5380751 0.004538920752
|
|
279 8 200.201625 -18.78245915 -18.78332932 0.0001087716614 30.69357846 30.68923945 0.002368663503
|
|
280 8 200.201625 -18.40542292 -18.40404938 0.0001716925824 32.51641699 32.52382115 0.008549844722
|
|
281 8 200.201625 -18.74365937 -18.74540916 0.0002187242825 30.94868656 30.92452189 0.006196425127
|
|
282 8 200.201625 -18.73340995 -18.73534983 0.0002424845716 31.0044134 30.97910612 0.007054911197
|
|
283 8 200.201625 -18.81192209 -18.8134127 0.0001863266112 30.70470325 30.65993833 0.005916601744
|
|
284 8 200.201625 -18.41561988 -18.41797991 0.000295003715 32.38543817 32.38768122 0.003707707844
|
|
285 8 200.201625 -18.53172166 -18.53413003 0.0003010467036 31.87678518 31.87155042 0.005322935135
|
|
286 8 200.201625 -18.66871087 -18.66826987 5.512517065e-05 31.15085106 31.16861455 0.003448192799
|
|
287 8 200.201625 -18.60630606 -18.60668646 4.754950839e-05 31.638129 31.62081008 0.01069633397
|
|
288 8 200.201625 -18.78703551 -18.78856529 0.0001912223505 30.74769626 30.72095906 0.004614933764
|
|
289 8 200.201625 -18.75601817 -18.75078927 0.0006536128035 30.72886768 30.76438387 0.005060735942
|
|
290 8 200.201625 -17.71296853 -17.6965478 0.002052591689 35.51566879 35.60991003 0.01467006237
|
|
291 8 200.201625 -18.8060086 -18.80734294 0.0001667924431 30.69929973 30.66240229 0.005085009823
|
|
292 8 200.201625 -18.4402779 -18.44403239 0.0004693118293 32.20593511 32.21047876 0.003008847626
|
|
293 8 200.201625 -18.76046879 -18.75459744 0.0007339184468 30.70666375 30.74413719 0.005272894402
|
|
294 8 200.201625 -18.79472227 -18.79627044 0.0001935215634 30.74357473 30.70910318 0.00583981198
|
|
295 8 200.201625 -18.60047946 -18.60324612 0.0003458330895 31.52369628 31.52149145 0.002816483228
|
|
296 8 200.201625 -18.7763928 -18.77797969 0.0001983608365 30.79719568 30.77105182 0.005170206322
|
|
297 8 200.201625 -17.99341029 -17.98503897 0.001046415267 34.31096338 34.36653327 0.01164237971
|
|
298 8 200.201625 -18.37173163 -18.37037378 0.0001697312151 32.43822909 32.44728299 0.01376241699
|
|
299 8 200.201625 -17.92082459 -17.92840077 0.0009470223867 34.42098283 34.39992976 0.01884848552
|
|
300 8 200.201625 -18.7113951 -18.70860148 0.0003492025083 30.94161098 30.96851628 0.004755659814
|
|
301 8 200.201625 -18.6174017 -18.62007006 0.0003335452593 31.44098312 31.4396675 0.002580793843
|
|
302 8 200.201625 -18.7903804 -18.79181491 0.0001793131331 30.7717244 30.73621055 0.00650619702
|
|
303 8 200.201625 -17.48896318 -17.46686581 0.00276217097 36.45188247 36.57228469 0.01586654641
|
|
304 8 200.201625 -18.31557449 -18.31273123 0.0003554069066 32.91519238 32.93362227 0.008954961101
|
|
305 8 200.201625 -18.68575479 -18.68749049 0.0002169624774 31.22426202 31.20308311 0.007750558835
|
|
306 8 200.201625 -18.78061217 -18.78234842 0.0002170306968 30.78477496 30.75647741 0.00553669563
|
|
307 8 200.201625 -18.60943951 -18.61129142 0.0002314892156 31.55615458 31.54266348 0.007130226705
|
|
308 8 200.201625 -18.5311923 -18.52820447 0.0003734792538 31.73390885 31.75743244 0.01012461657
|
|
309 8 200.201625 -18.77387262 -18.77505826 0.000148205456 30.74112847 30.73398918 0.002733038061
|
|
310 8 200.201625 -18.58067055 -18.57500616 0.0007080488231 31.50537443 31.53640779 0.01066851507
|
|
311 8 200.201625 -18.55145809 -18.55015461 0.0001629348715 31.65379585 31.67509141 0.007984006191
|
|
312 8 200.201625 -18.37653331 -18.37420108 0.0002915287341 32.6595118 32.67186311 0.008987075052
|
|
313 8 200.201625 -18.71583901 -18.7179035 0.000258060751 31.03272384 31.01949294 0.004207417666
|
|
314 8 200.201625 -18.58381614 -18.58658856 0.0003465519189 31.60629169 31.60336662 0.003040255058
|
|
315 8 200.201625 -18.77610886 -18.77718203 0.0001341459021 30.72282175 30.71814784 0.002425657383
|
|
316 8 200.201625 -18.75796466 -18.75225185 0.0007141017001 30.71864407 30.75561682 0.00516668529
|
|
317 8 200.201625 -18.77335694 -18.77487112 0.0001892720172 30.77404517 30.75754523 0.003734059321
|
|
318 8 200.201625 -18.72405782 -18.71489311 0.001145589008 30.85620205 30.90256808 0.008304057116
|
|
319 8 200.201625 -18.70631832 -18.70510716 0.0001513946562 30.97997893 30.99982205 0.003064392424
|
|
320 8 200.201625 -18.81183536 -18.81319946 0.0001705130485 30.70732255 30.662448 0.006096512607
|
|
321 8 200.201625 -18.71878699 -18.72005006 0.0001578839795 31.12953881 31.09704221 0.01002346822
|
|
322 8 200.201625 -18.79162091 -18.79330401 0.0002103875878 30.69661882 30.67688332 0.003967257941
|
|
323 8 200.201625 -18.52725216 -18.52778204 6.623448288e-05 31.9641801 31.95690629 0.009163032159
|
|
324 8 200.201625 -18.66889335 -18.67017106 0.0001597139049 31.33113028 31.30774889 0.009376754725
|
|
325 8 200.201625 -18.31539614 -18.31454982 0.0001057898218 32.68570957 32.68887063 0.01515947899
|
|
326 8 200.201625 -18.254927 -18.25209125 0.0003544691368 33.16940068 33.19261114 0.008783479209
|
|
327 8 200.201625 -18.26413507 -18.26131527 0.0003524755226 33.13206332 33.15470979 0.008909115865
|
|
328 8 200.201625 -18.24007558 -18.23576264 0.0005391180436 33.25276664 33.28122576 0.01027395775
|
|
329 8 200.201625 -18.57666044 -18.57834149 0.0002101317817 31.57566056 31.58679659 0.003080636489
|
|
330 8 200.201625 -18.08822323 -18.08078438 0.0009298565127 33.91362946 33.96153029 0.01194345816
|
|
331 8 200.201625 -18.15965061 -18.1541524 0.0006872759132 33.59878801 33.63615606 0.01079241239
|
|
332 8 200.201625 -18.8066187 -18.80812943 0.0001888408782 30.70054171 30.66226658 0.005175781922
|
|
333 8 200.201625 -18.4603311 -18.45862654 0.0002130697624 32.05072636 32.06781818 0.01113170016
|
|
334 8 200.201625 -18.73243182 -18.7335534 0.0001401975154 31.06930527 31.03524619 0.009803334608
|
|
335 8 200.201625 -18.75269448 -18.7539424 0.0001559900061 30.83061491 30.82626173 0.002471925017
|
|
336 8 200.201625 -18.53046844 -18.53130782 0.0001049223655 31.93742051 31.93006002 0.008522676078
|
|
337 8 200.201625 -18.74204433 -18.7439547 0.0002387958702 30.95250236 30.92891554 0.00607790143
|
|
338 8 200.201625 -18.76652202 -18.76303401 0.0004360007585 30.69293481 30.72149267 0.003612915298
|
|
339 8 200.201625 -18.43371814 -18.4360942 0.0002970075472 32.30744355 32.30814542 0.003831153263
|
|
340 8 200.201625 -18.78218359 -18.78367204 0.0001860566463 30.77701822 30.74912507 0.005223233425
|
|
341 8 200.201625 -18.79078199 -18.79244275 0.0002075954249 30.73755765 30.70862765 0.004923715718
|
|
342 8 200.201625 -18.29590915 -18.29577447 1.683497049e-05 32.95114584 32.96461268 0.005738863491
|
|
343 8 200.201625 -18.73699166 -18.73895195 0.000245036339 30.98694742 30.96153909 0.006932313217
|
|
344 8 200.201625 -18.6916694 -18.6904893 0.0001475119687 31.0422557 31.06287081 0.003761778143
|
|
345 8 200.201625 -18.33823586 -18.34245514 0.0005274102583 32.67607485 32.68013891 0.003702734807
|
|
346 8 200.201625 -18.81117201 -18.81259133 0.0001774147742 30.702053 30.65860384 0.005525990939
|
|
347 8 200.201625 -18.78157556 -18.78237822 0.0001003320877 30.69308742 30.6903958 0.002166875226
|
|
348 8 200.201625 -18.6353546 -18.63785271 0.0003122635114 31.39303227 31.38434601 0.004271715397
|
|
349 8 200.201625 -17.97637235 -17.96935603 0.0008770401442 34.36711136 34.41867543 0.009994588462
|
|
350 8 200.201625 -18.21251891 -18.21701939 0.0005625599476 33.22500817 33.23095042 0.004911595025
|
|
351 8 200.201625 -18.79785493 -18.79944176 0.0001983542713 30.70066752 30.6722835 0.004606548638
|
|
352 8 200.201625 -17.79089005 -17.79759717 0.0008383894168 34.95205275 34.88650965 0.03105842935
|
|
353 8 200.201625 -18.75483551 -18.75020027 0.0005794046586 30.73867042 30.77170688 0.004737204946
|
|
354 8 200.201625 -18.75607824 -18.74299885 0.0016349232 30.70092482 30.75814585 0.01075952715
|
|
355 8 200.201625 -18.66878405 -18.66399993 0.0005980153948 31.1176618 31.15107427 0.007534294607
|
|
356 8 200.201625 -18.81232452 -18.81376554 0.0001801277731 30.70368888 30.65881666 0.005852363906
|
|
357 8 200.201625 -18.70149589 -18.69316334 0.001041568482 30.9587837 31.00233788 0.008714435205
|
|
358 8 200.201625 -17.6306123 -17.6399728 0.001170062677 35.6312084 35.54302363 0.03809034723
|
|
359 8 200.201625 -18.79173552 -18.79301852 0.0001603755312 30.79879848 30.75699261 0.007988864637
|
|
360 8 200.201625 -17.84057247 -17.82732118 0.001656411113 34.97623472 35.05515663 0.013994195
|
|
361 8 200.201625 -18.80542419 -18.80699389 0.0001962125449 30.70168267 30.66435337 0.005132222457
|
|
362 8 200.201625 -18.47343608 -18.47479948 0.0001704254493 32.01336605 32.02656356 0.00728610904
|
|
363 8 200.201625 -18.77324188 -18.77478411 0.0001927787239 30.7644886 30.75076917 0.003472516431
|
|
364 8 200.201625 -18.75928635 -18.76082939 0.0001928795898 30.92074433 30.8870055 0.008104427665
|
|
365 8 200.201625 -18.67567647 -18.67696621 0.0001612170291 31.14801014 31.15491253 0.002346689251
|
|
366 8 200.201625 -18.49352508 -18.49616665 0.00033019604 32.02977796 32.02831481 0.003786488709
|
|
367 8 200.201625 -18.68344887 -18.68542851 0.0002474544389 31.21677313 31.19821303 0.006653647859
|
|
368 8 200.201625 -18.72163172 -18.72335907 0.0002159186369 30.97466009 30.97010729 0.002607309418
|
|
369 8 200.201625 -18.7632303 -18.76448698 0.0001570855782 30.78393952 30.77889664 0.002529757701
|
|
370 8 200.201625 -18.71012146 -18.71230841 0.0002733688114 31.06476697 31.05039833 0.004869664506
|
|
371 8 200.201625 -18.41172999 -18.41091728 0.0001015891124 32.47908778 32.48491841 0.008170341325
|
|
372 8 200.201625 -18.75556482 -18.75682973 0.0001581132232 30.81782117 30.81325815 0.002488820833
|
|
373 8 200.201625 -17.93912493 -17.94657606 0.0009313909929 34.35344039 34.34024531 0.01647115888
|
|
374 8 200.201625 -18.69945975 -18.70156293 0.0002628974395 31.11163737 31.09822538 0.004614105503
|
|
375 8 200.201625 -18.54013549 -18.54065233 6.460546468e-05 31.91140162 31.90258588 0.009475610144
|
|
376 8 200.201625 -17.77248425 -17.75809166 0.001799073417 35.26127216 35.34678274 0.01399547339
|
|
377 8 200.201625 -18.46718799 -18.46796327 9.691051362e-05 32.21105218 32.20974735 0.0076316922
|
|
378 8 200.201625 -18.54624141 -18.54770762 0.0001832758816 31.84734077 31.83919545 0.007502383283
|
|
379 8 200.201625 -18.68141198 -18.68245573 0.0001304693443 31.29007264 31.26362036 0.01001814439
|
|
380 8 200.201625 -18.70036844 -18.70232185 0.0002441756883 31.13450591 31.11596503 0.006362722302
|
|
381 8 200.201625 -18.69410806 -18.6952961 0.0001485053232 31.06933005 31.07498893 0.002209956418
|
|
382 8 200.201625 -18.70308674 -18.70410237 0.0001269535125 31.19435078 31.16503451 0.009890031019
|
|
383 8 200.201625 -17.63871801 -17.64876551 0.001255937375 35.61713402 35.57471684 0.02762845659
|
|
384 8 200.201625 -18.26670531 -18.26877384 0.0002585660518 32.9090814 32.90861979 0.01381930311
|
|
385 8 200.201625 -18.43874924 -18.44239522 0.000455746891 32.21296993 32.21770238 0.003040524913
|
|
386 8 200.201625 -18.49389284 -18.49310999 9.785580765e-05 32.13894368 32.13635013 0.01015091559
|
|
387 8 200.201625 -17.72410344 -17.73330976 0.001150790622 35.25843135 35.2240878 0.0245076362
|
|
388 8 200.201625 -18.72050069 -18.72240731 0.0002383277895 31.04140169 31.02175449 0.00604872095
|
|
389 8 200.201625 -18.43155643 -18.43545377 0.0004871670763 32.24820972 32.25222723 0.003034141756
|
|
390 8 200.201625 -18.14281332 -18.13656392 0.0007811744592 33.67832571 33.71950341 0.01149242922
|
|
391 8 200.201625 -18.25982905 -18.25564709 0.0005227446337 33.16972153 33.19650807 0.01030054826
|
|
392 8 200.201625 -17.8296484 -17.83556042 0.0007390027661 34.78677474 34.72589843 0.02963486252
|
|
393 8 200.201625 -18.76830631 -18.76968583 0.0001724395375 30.88308464 30.84783219 0.007885774353
|
|
394 8 200.201625 -18.79492526 -18.79665676 0.0002164375914 30.69882393 30.67419428 0.004351587058
|
|
395 8 200.201625 -18.31621139 -18.31590836 3.787894438e-05 32.87190483 32.88449413 0.006286007946
|
|
396 8 200.201625 -18.77263578 -18.77376553 0.0001412190444 30.73582984 30.73213531 0.002326710766
|
|
397 8 200.201625 -18.52423064 -18.52700698 0.0003470429524 31.89876722 31.89467197 0.004547105807
|
|
398 8 200.201625 -18.8025075 -18.80405955 0.0001940065037 30.71565227 30.67859201 0.005498191788
|
|
399 8 200.201625 -18.62780722 -18.63022467 0.0003021817604 31.39809386 31.39604338 0.002667490861
|
|
400 8 200.201625 -18.56594866 -18.56593522 1.679937726e-06 31.81704277 31.80522202 0.01052323831
|
|
401 8 200.201625 -18.7591434 -18.7540651 0.0006347879008 30.71566262 30.75059105 0.004834108772
|
|
402 8 200.201625 -18.60596698 -18.60657675 7.62215421e-05 31.43588966 31.45079872 0.00380044804
|
|
403 8 200.201625 -18.79374487 -18.79516598 0.0001776382814 30.69745527 30.67537097 0.004144175971
|
|
404 8 200.201625 -18.31979594 -18.31625635 0.0004424483288 32.90980949 32.92969527 0.009747729651
|
|
405 8 200.201625 -18.62161189 -18.62218809 7.202557767e-05 31.5691953 31.54975296 0.01070157992
|
|
406 8 200.201625 -17.73413764 -17.74190222 0.0009705726038 35.19405708 35.12280232 0.03287945722
|
|
407 8 200.201625 -18.57533773 -18.5778669 0.0003161459374 31.68206752 31.67345633 0.005419349253
|
|
408 8 200.201625 -18.7565192 -18.75505313 0.0001832583358 30.75526352 30.77433295 0.003072323993
|
|
409 8 200.201625 -18.33916335 -18.33870261 5.759237478e-05 32.77408169 32.78524675 0.006334466664
|
|
410 8 200.201625 -18.74511421 -18.74145732 0.0004571111064 30.78724658 30.81679883 0.004464753144
|
|
411 8 200.201625 -18.66736239 -18.66922438 0.0002327489617 31.31161133 31.29091084 0.008026756486
|
|
412 8 200.201625 -18.79189462 -18.79326129 0.000170834174 30.78695217 30.74660231 0.007436794023
|
|
413 8 200.201625 -18.18749152 -18.18331241 0.0005223890028 33.46630166 33.49774409 0.009607661767
|
|
414 8 200.201625 -18.4199727 -18.42218258 0.000276235531 32.37564388 32.37742266 0.004454353749
|
|
415 8 200.201625 -17.62980425 -17.6117973 0.002250868953 35.86153193 35.96382909 0.01460305558
|
|
416 8 200.201625 -18.76073784 -18.76227085 0.0001916264501 30.9005195 30.86930477 0.007398927993
|
|
417 8 200.201625 -18.72949039 -18.7265579 0.0003665608558 30.86248585 30.8891889 0.004296083588
|
|
418 8 200.201625 -18.76840755 -18.7685133 1.321927964e-05 30.73005908 30.73653279 0.002242791743
|
|
419 8 200.201625 -18.37458468 -18.37588222 0.0001621919507 32.43930883 32.44792064 0.01083725555
|
|
420 8 200.201625 -18.74010038 -18.74186806 0.0002209603654 30.97095351 30.94582142 0.006587161388
|
|
421 8 200.201625 -18.61654549 -18.60947674 0.0008835942674 31.34125019 31.37718999 0.01056524789
|
|
422 8 200.201625 -18.37990636 -18.37862569 0.0001600842187 32.62603837 32.63570634 0.008164590773
|
|
423 8 200.201625 -18.72740364 -18.72939625 0.0002490760958 30.95668232 30.94902395 0.002973428997
|
|
424 8 200.201625 -18.77052977 -18.77139949 0.0001087154497 30.74348873 30.74113259 0.002169265397
|
|
425 8 200.201625 -18.71500931 -18.71713735 0.0002660046294 31.04286095 31.02825046 0.004829636273
|
|
426 8 200.201625 -18.65197838 -18.65442505 0.0003058339426 31.33556825 31.32262916 0.005455968616
|
|
427 8 200.201625 -18.18884328 -18.18875211 1.139603979e-05 33.23589743 33.22208863 0.0191568198
|
|
428 8 200.201625 -18.78597787 -18.78745411 0.0001845294779 30.71628884 30.69908838 0.003753217365
|
|
429 8 200.201625 -18.55841828 -18.55912984 8.894498355e-05 31.82626096 31.81551763 0.009370862308
|
|
430 8 200.201625 -18.76160897 -18.76334394 0.000216871662 30.86599335 30.84069904 0.005893275079
|
|
431 8 200.201625 -18.71536039 -18.71479286 7.094067937e-05 30.94721944 30.96317402 0.002870621697
|
|
432 8 200.201625 -17.92901981 -17.93603642 0.0008770757911 34.41165929 34.40578313 0.01452501605
|
|
433 8 200.201625 -18.62754734 -18.6206866 0.0008575921659 31.29270275 31.3290308 0.01013306778
|
|
434 8 200.201625 -17.92549512 -17.93081234 0.0006646530462 34.37872851 34.33552317 0.02441575083
|
|
435 8 200.201625 -17.46706477 -17.44432291 0.002842732596 36.54280225 36.6652175 0.01641586353
|
|
436 8 200.201625 -18.79464866 -18.79630926 0.0002075753352 30.70938713 30.68254484 0.004515360755
|
|
437 8 200.201625 -17.92014791 -17.92317595 0.0003785051214 34.39699412 34.34133084 0.02817456585
|
|
438 8 200.201625 -18.66305695 -18.66436098 0.0001630031544 31.35538442 31.33285431 0.009314207962
|
|
439 8 200.201625 -17.60094345 -17.61169923 0.001344472308 35.76070814 35.68593966 0.03456367278
|
|
440 8 200.201625 -18.81220289 -18.81370198 0.000187386826 30.70321408 30.65843981 0.005799199887
|
|
441 8 200.201625 -18.75601276 -18.73813685 0.002234488302 30.69322963 30.75983264 0.01379383973
|
|
442 8 200.201625 -18.37956488 -18.38322679 0.0004577383284 32.44481199 32.45126966 0.006478821923
|
|
443 8 200.201625 -18.80430254 -18.80577552 0.0001841231212 30.71500879 30.67625814 0.005692146359
|
|
444 8 200.201625 -18.47664022 -18.47475705 0.0002353963008 31.97753487 31.9959509 0.01088879524
|
|
445 8 200.201625 -18.70843762 -18.71052377 0.0002607686452 31.05146232 31.04241522 0.0035627176
|
|
446 8 200.201625 -17.3374308 -17.35153546 0.001763082654 36.85821977 36.72274189 0.05282992257
|
|
447 8 200.201625 -17.7309355 -17.71632772 0.001825972255 35.42963714 35.51660537 0.01332683221
|
|
448 8 200.201625 -18.69472466 -18.69683378 0.0002636397715 31.12186169 31.11155255 0.00414484672
|
|
449 8 200.201625 -18.41950374 -18.42340297 0.0004874031976 32.30315793 32.30718188 0.00311797994
|
|
450 8 200.201625 -18.61257757 -18.61323076 8.164901349e-05 31.59963476 31.58190786 0.0102490995
|
|
451 8 200.201625 -18.71465122 -18.71558931 0.0001172613908 31.14741316 31.11625616 0.009954721636
|
|
452 8 200.201625 -18.75266244 -18.74566427 0.0008747711567 30.73473482 30.77627348 0.006402998837
|
|
453 8 200.201625 -17.58985642 -17.57042347 0.002429118645 36.03071422 36.13867277 0.01496767362
|
|
454 8 200.201625 -18.66672185 -18.66823293 0.0001888847853 31.19175388 31.19775228 0.002292114139
|
|
455 8 200.201625 -18.81218293 -18.81366876 0.0001857286091 30.70028355 30.65598116 0.005421063674
|
|
456 8 200.201625 -18.75038408 -18.73739316 0.001623864636 30.72658688 30.78324651 0.01078674622
|
|
457 8 200.201625 -18.47684191 -18.47688547 5.444974977e-06 32.1900159 32.18833376 0.008851856959
|
|
458 8 200.201625 -18.31453643 -18.31133234 0.000400510822 32.92821722 32.94791811 0.009508351086
|
|
459 8 200.201625 -18.69127414 -18.69356093 0.0002858493694 31.15382407 31.13966747 0.005238456725
|
|
460 8 200.201625 -18.10330246 -18.09696924 0.0007916530171 33.84033128 33.88370274 0.01106099934
|
|
461 8 200.201625 -18.14670281 -18.14205241 0.0005813005642 33.64000737 33.67527792 0.00964566167
|
|
462 8 200.201625 -18.66094355 -18.66331038 0.0002958533639 31.25661555 31.25161481 0.003053052445
|
|
463 8 200.201625 -18.77142284 -18.77240477 0.0001227415644 30.74387769 30.7398245 0.002368899438
|
|
464 8 200.201625 -18.75292617 -18.75472104 0.0002243589522 30.86097339 30.84696879 0.003732966723
|
|
465 8 200.201625 -18.77142272 -18.77330066 0.0002347421626 30.79109919 30.77192711 0.00410053446
|
|
466 8 200.201625 -18.52350347 -18.52332792 2.194359388e-05 31.99996933 31.99320205 0.01006940941
|
|
467 8 200.201625 -18.75768345 -18.75823395 6.88127051e-05 30.78955651 30.79218216 0.001904524656
|
|
468 8 200.201625 -18.5904803 -18.59256889 0.0002610739771 31.63152294 31.62072561 0.006714710315
|
|
469 8 200.201625 -18.13433971 -18.12807892 0.0007825983813 33.71208308 33.75360766 0.01132855295
|
|
470 8 200.201625 -18.78732511 -18.7890744 0.0002186608118 30.7615739 30.73091038 0.005582181525
|
|
471 8 200.201625 -17.99763497 -17.99072331 0.0008639578228 34.2774975 34.32753031 0.0100640992
|
|
472 8 200.201625 -18.40459715 -18.40559989 0.0001253423446 32.30582798 32.31644775 0.01035371501
|
|
473 8 200.201625 -18.7712298 -18.77092381 3.824813641e-05 30.70961119 30.71933479 0.00250730276
|
|
474 8 200.201625 -18.59498704 -18.59697853 0.0002489359173 31.60920127 31.59859157 0.006551019795
|
|
475 8 200.201625 -18.61078783 -18.61112908 4.265635389e-05 31.61817435 31.60040455 0.0106858373
|
|
476 8 200.201625 -18.78191402 -18.78348666 0.0001965796876 30.78896527 30.75864715 0.005937498913
|
|
477 8 200.201625 -18.69812488 -18.69215046 0.0007468020291 30.98249926 31.01998569 0.007460186251
|
|
478 8 200.201625 -18.59911873 -18.60188327 0.0003455676338 31.52250524 31.52162549 0.00254943698
|
|
479 8 200.201625 -18.63138541 -18.63412583 0.0003425528529 31.3907662 31.38613995 0.003125254564
|
|
480 8 200.201625 -18.69103593 -18.69193839 0.0001128071066 31.0737471 31.08264053 0.00245611887
|
|
481 8 200.201625 -18.76695473 -18.7673997 5.562181401e-05 30.74328425 30.74699922 0.001997238016
|
|
482 8 200.201625 -18.50905884 -18.51116877 0.0002637412007 31.9834399 31.97965362 0.005467209487
|
|
483 8 200.201625 -18.79810321 -18.79963279 0.000191197897 30.74041727 30.70287664 0.006204726575
|
|
484 8 200.201625 -18.7729234 -18.77306827 1.810827351e-05 30.7075587 30.71441656 0.002263841323
|
|
485 8 200.201625 -18.6720337 -18.67290321 0.0001086893179 31.34225956 31.31621145 0.01051121173
|
|
486 8 200.201625 -18.34308819 -18.34089468 0.0002741889287 32.79332348 32.80806727 0.008550784209
|
|
487 8 200.201625 -18.69373664 -18.69579446 0.0002572278931 31.0935755 31.09139 0.002389545549
|
|
488 8 200.201625 -18.70086048 -18.69940455 0.0001819908221 30.99811938 31.0199515 0.003897477227
|
|
489 8 200.201625 -18.76087249 -18.75849803 0.000296807839 30.72894795 30.75196603 0.003294452323
|
|
490 8 200.201625 -18.77009329 -18.76880081 0.0001615598714 30.69974957 30.7164453 0.002968860053
|
|
491 8 200.201625 -18.74560896 -18.74710089 0.0001864915957 30.99028155 30.95694666 0.00877722604
|
|
492 8 200.201625 -18.04302614 -18.04622779 0.0004002065512 33.87205549 33.84238403 0.02163190295
|
|
493 8 200.201625 -18.6063607 -18.59824479 0.001014488605 31.38426049 31.42118793 0.01146375784
|
|
494 8 200.201625 -18.6204596 -18.61162092 0.001104835519 31.31890469 31.35803781 0.01150845556
|
|
495 8 200.201625 -17.92795176 -17.93512657 0.0008968506951 34.38609895 34.36216856 0.01965473256
|
|
496 8 200.201625 -18.79929072 -18.80088715 0.0001995537399 30.74132993 30.7021325 0.006449539961
|
|
497 8 200.201625 -18.74347134 -18.74494871 0.0001846707777 30.87906807 30.87294665 0.00274100913
|
|
498 8 200.201625 -18.14428575 -18.14948465 0.0006498626936 33.50704938 33.51124268 0.006826225318
|
|
499 8 200.201625 -18.08368419 -18.07909181 0.0005740477159 33.89732159 33.93544574 0.008684869556
|
|
500 8 200.201625 -18.47193162 -18.47261644 8.560285758e-05 32.01337189 32.02783639 0.008321033215
|
|
501 8 200.201625 -18.74485582 -18.74665822 0.0002253004337 30.89904147 30.88500626 0.003723487354
|
|
502 8 200.201625 -18.66897005 -18.67136397 0.0002992398864 31.23428137 31.22549918 0.003772376841
|
|
503 8 200.201625 -17.39966914 -17.41289033 0.001652648436 36.60474687 36.50971105 0.04191652855
|
|
504 8 200.201625 -17.77351197 -17.78141256 0.0009875739876 35.03024445 34.97286649 0.02867276838
|
|
505 8 200.201625 -18.74038607 -18.74217395 0.0002234847715 30.89607621 30.88860356 0.002895626053
|
|
506 8 200.201625 -18.76985139 -18.76987679 3.175165093e-06 30.71970276 30.72750335 0.002348903893
|
|
507 8 200.201625 -18.42069694 -18.42438577 0.0004611034284 32.28649244 32.29186889 0.003192006093
|
|
508 8 200.201625 -18.56935834 -18.5710242 0.0002082325842 31.74325244 31.73288257 0.007621723833
|
|
509 8 200.201625 -18.8073557 -18.83346821 0.00326406352 30.72628008 30.41547528 0.03914653592
|
|
510 8 200.201625 -18.66084694 -18.66312623 0.0002849112633 31.29350003 31.28094749 0.005462159442
|
|
511 8 200.201625 -18.73335993 -18.73537963 0.0002524627 30.95817333 30.94272399 0.00432895221
|
|
512 8 200.201625 -18.44399838 -18.44703354 0.0003793944121 32.23664175 32.2377014 0.003116994874
|
|
513 8 200.201625 -18.78095731 -18.78257673 0.0002024272279 30.78935039 30.75973747 0.005659497757
|
|
514 8 200.201625 -18.61718623 -18.61757155 4.816496747e-05 31.58872881 31.57012038 0.01066045479
|
|
515 8 200.201625 -17.83808461 -17.8248249 0.001657464051 34.98638754 35.06541425 0.01396599462
|
|
516 8 200.201625 -18.78128199 -18.78290949 0.0002034376241 30.727388 30.71300403 0.003497711138
|
|
517 8 200.201625 -18.68106839 -18.68225296 0.0001480718159 31.12149667 31.12926123 0.002397470657
|
|
518 8 200.201625 -18.47061452 -18.46229665 0.001039733329 31.98598225 32.00833127 0.01576486319
|
|
519 8 200.201625 -18.25620501 -18.2553917 0.0001016639098 33.13261902 33.15041853 0.006488948454
|
|
520 8 200.201625 -18.73174084 -18.73163332 1.344021121e-05 30.88093625 30.8935044 0.002693345121
|
|
521 8 200.201625 -18.80651907 -18.80788792 0.0001711060175 30.71250683 30.67197783 0.005737990784
|
|
522 8 200.201625 -18.72454019 -18.72603215 0.0001864947237 31.08056194 31.05060159 0.008911054458
|
|
523 8 200.201625 -18.79139473 -18.79275448 0.0001699691646 30.79217168 30.75134868 0.007608208873
|
|
524 8 200.201625 -18.52999447 -18.53031454 4.00090005e-05 31.96032801 31.95264196 0.009602527868
|
|
525 8 200.201625 -18.66002534 -18.66074621 9.010835657e-05 31.39071877 31.36687035 0.01031119764
|
|
526 8 200.201625 -18.52674085 -18.52078574 0.0007443884574 31.74248294 31.76963682 0.01258602858
|
|
527 8 200.201625 -18.66072973 -18.66222276 0.0001866292346 31.3465767 31.3266515 0.008329302698
|
|
528 8 200.201625 -17.94290667 -17.94740908 0.0005628010684 34.30351275 34.26095217 0.02441287042
|
|
529 8 200.201625 -18.74746129 -18.7476613 2.50007441e-05 30.82325195 30.83084335 0.002343347579
|
|
530 8 200.201625 -17.74220781 -17.72800147 0.001775792233 35.38159444 35.46700802 0.01322709374
|
|
531 8 200.201625 -18.48398932 -18.48743544 0.000430765511 32.02540286 32.02832722 0.002697937669
|
|
532 8 200.201625 -18.73063201 -18.73260237 0.0002462950615 30.99344639 30.97323669 0.005837065571
|
|
533 8 200.201625 -18.41707429 -18.42087555 0.0004751579301 32.32458843 32.3279602 0.003118702688
|
|
534 8 200.201625 -18.7704059 -18.76983836 7.094307762e-05 30.71113519 30.72213262 0.002611096722
|
|
535 8 200.201625 -17.89007342 -17.89784223 0.0009711017387 34.55611348 34.53563681 0.01906831954
|
|
536 8 200.201625 -18.67919659 -18.68139514 0.0002748192184 31.15809324 31.15627195 0.002355772391
|
|
537 8 200.201625 -18.79908376 -18.80064764 0.0001954848509 30.69766636 30.66856199 0.004652461869
|
|
538 8 200.201625 -18.7519967 -18.74504884 0.000868482304 30.73811707 30.77938269 0.006367190478
|
|
539 8 200.201625 -18.65915142 -18.66005422 0.000112849556 31.39647269 31.37212149 0.01046238069
|
|
540 8 200.201625 -18.77166025 -18.77340211 0.0002177331222 30.8335371 30.80416434 0.006141140094
|
|
541 8 200.201625 -18.54987879 -18.55295657 0.0003847227516 31.7501615 31.74906423 0.002832288264
|
|
542 8 200.201625 -18.40687251 -18.41070213 0.0004787022846 32.33881461 32.34452344 0.004284056224
|
|
543 8 200.201625 -17.89938616 -17.88856291 0.00135290563 34.7171973 34.78534974 0.01268293761
|
|
544 8 200.201625 -18.59463153 -18.59477836 1.835365308e-05 31.68886543 31.67341166 0.01058220694
|
|
545 8 200.201625 -18.01829636 -18.02137446 0.0003847624197 33.97804857 33.94393986 0.02274242766
|
|
546 8 200.201625 -18.72981038 -18.7307373 0.0001158646687 30.90820819 30.91299611 0.002100314409
|
|
547 8 200.201625 -18.09460469 -18.09027425 0.0005413050494 33.85168642 33.88885464 0.008766518992
|
|
548 8 200.201625 -18.79197204 -18.79335343 0.000172673938 30.69498473 30.67599676 0.003891064118
|
|
549 8 200.201625 -18.63076867 -18.63120248 5.422603413e-05 31.32426076 31.33966545 0.003507693203
|
|
550 8 200.201625 -18.67631328 -18.6784368 0.000265439663 31.18397677 31.17929812 0.002788881035
|
|
551 8 200.201625 -18.76039243 -18.75114728 0.001155643357 30.69163246 30.73982493 0.008024318581
|
|
552 8 200.201625 -18.704454 -18.70583195 0.0001722434956 31.17185386 31.14421208 0.009151494364
|
|
553 8 200.201625 -18.75549398 -18.75681641 0.0001653042991 30.95854019 30.921787 0.009115152752
|
|
554 8 200.201625 -18.80538379 -18.80684013 0.0001820430224 30.7202287 30.67910581 0.006161882163
|
|
555 8 200.201625 -18.48228809 -18.4840621 0.0002217516288 32.11209744 32.10984834 0.005847197749
|
|
556 8 200.201625 -18.63352935 -18.63592691 0.0002996948571 31.4146225 31.4037294 0.005161280739
|
|
557 8 200.201625 -18.76287858 -18.76452336 0.0002055977706 30.90487658 30.87041301 0.008056346529
|
|
558 8 200.201625 -18.62619143 -18.62526181 0.0001162026123 31.33010762 31.35115512 0.005339382738
|
|
559 8 200.201625 -18.72114755 -18.72123383 1.078455185e-05 30.93528764 30.9458618 0.002582912633
|
|
560 8 200.201625 -18.76488249 -18.76046279 0.0005524621028 30.69316198 30.72575808 0.004159766977
|
|
561 8 200.201625 -18.73126424 -18.732629 0.0001705955158 31.04779057 31.01773725 0.008648044647
|
|
562 8 200.201625 -18.37843804 -18.37603134 0.0003008371558 32.64990784 32.66208798 0.008901344985
|
|
563 8 200.201625 -18.77180774 -18.7731619 0.0001692702342 30.88263778 30.84420089 0.008570401799
|
|
564 8 200.201625 -18.53731619 -18.53216409 0.0006440121433 31.69791612 31.72504262 0.01171129772
|
|
565 8 200.201625 -18.73365332 -18.73539263 0.0002174133694 31.01366065 30.98676475 0.007532161564
|
|
566 8 200.201625 -18.69061059 -18.69280383 0.000274155231 31.15322417 31.14008455 0.004990390731
|
|
567 8 200.201625 -18.78951171 -18.79104996 0.0001922813705 30.78005769 30.74333236 0.006709107886
|
|
568 8 200.201625 -18.06806397 -18.07161118 0.0004434014606 33.76578106 33.74134139 0.02021750743
|
|
569 8 200.201625 -18.40239755 -18.40144347 0.0001192604466 32.52374853 32.53072022 0.00826792412
|
|
570 8 200.201625 -18.32293195 -18.32645301 0.0004401323376 32.76118636 32.7663243 0.003859269737
|
|
571 8 200.201625 -18.75394552 -18.75267663 0.0001586111056 30.7700239 30.78777797 0.003004230352
|
|
572 8 200.201625 -18.72292611 -18.72489852 0.0002465508427 31.04370177 31.02098102 0.00676872541
|
|
573 8 200.201625 -18.7576314 -18.75950863 0.0002346537099 30.84667879 30.83016668 0.003860321776
|
|
574 8 200.201625 -18.47854592 -18.47940182 0.0001069877462 31.98668706 32.00108484 0.007812578095
|
|
575 8 200.201625 -18.03064904 -18.02259285 0.00100702358 34.15733362 34.21050276 0.01198935612
|
|
576 8 200.201625 -18.6873706 -18.68871226 0.0001677080654 31.09771547 31.10351269 0.002222814615
|
|
577 8 200.201625 -18.66738155 -18.6687865 0.0001756187351 31.32695091 31.30501687 0.008839803654
|
|
578 8 200.201625 -18.7551275 -18.75659384 0.00018329235 30.82784297 30.82069275 0.002819868163
|
|
579 8 200.201625 -18.59939718 -18.59995825 7.013413299e-05 31.65653522 31.64059464 0.01013288155
|
|
580 8 200.201625 -18.76097268 -18.76113973 2.088101242e-05 30.76098449 30.76839872 0.002315899608
|
|
581 8 200.201625 -18.80083287 -18.80217784 0.000168120969 30.75749472 30.71424315 0.007424221992
|
|
582 8 200.201625 -18.19674305 -18.20186302 0.0006399967213 33.27613166 33.2798813 0.006096460558
|
|
583 8 200.201625 -18.53790551 -18.54092515 0.0003774551078 31.80249416 31.80211829 0.00277446066
|
|
584 8 200.201625 -18.73218823 -18.73358612 0.00017473614 31.04560532 31.01497647 0.008748207271
|
|
585 8 200.201625 -18.74526589 -18.74091997 0.0005432402933 30.78277514 30.81498501 0.004524094162
|
|
586 8 200.201625 -18.71567083 -18.69908999 0.002072604817 30.87788097 30.93813246 0.01330390019
|
|
587 8 200.201625 -18.68651679 -18.68871417 0.0002746719303 31.15213696 31.14369227 0.003747715228
|
|
588 8 200.201625 -18.77936775 -18.7810821 0.0002142942558 30.753203 30.73411684 0.003955626249
|
|
589 8 200.201625 -17.73421129 -17.74322493 0.001126704942 35.1995983 35.14356721 0.02838669658
|
|
590 8 200.201625 -18.30208368 -18.29871267 0.0004213766126 32.98105085 33.0019943 0.009537238903
|
|
591 8 200.201625 -18.14755131 -18.15325866 0.000713418344 33.46578603 33.46490766 0.01006037224
|
|
592 8 200.201625 -18.6025509 -18.60290278 4.398507623e-05 31.44336507 31.46025977 0.00463809576
|
|
593 8 200.201625 -18.65907311 -18.66078818 0.0002143842042 31.34795483 31.32865154 0.008058784662
|
|
594 8 200.201625 -18.70767472 -18.7053415 0.0002916530866 30.96143432 30.98694306 0.004136091807
|
|
595 8 200.201625 -18.75735894 -18.74623602 0.001390365022 30.70030439 30.75310722 0.009343015248
|
|
596 8 200.201625 -18.1541197 -18.14838807 0.0007164542143 33.62241876 33.66053127 0.01081462908
|
|
597 8 200.201625 -18.62105536 -18.62371537 0.0003325018211 31.43917513 31.43454783 0.003051855344
|
|
598 8 200.201625 -18.67733356 -18.67834085 0.000125911786 31.31518139 31.28854353 0.01036630957
|
|
599 8 200.201625 -18.59540576 -18.59660671 0.0001501186827 31.65154065 31.63704651 0.009027090721
|
|
600 8 200.201625 -18.76283489 -18.76451397 0.0002098844561 30.88719059 30.85598004 0.007088272815
|
|
601 8 200.201625 -18.21957707 -18.21818192 0.0001743932852 33.09956053 33.08838733 0.01915630634
|
|
602 8 200.201625 -18.76810791 -18.7652206 0.0003609143312 30.69252674 30.71780143 0.003422285292
|
|
603 8 200.201625 -18.64958953 -18.65141935 0.0002287280509 31.37860997 31.3616151 0.007301144968
|
|
604 8 200.201625 -18.64869192 -18.64954351 0.0001064491127 31.4387006 31.41628364 0.01025749325
|
|
605 8 200.201625 -18.52823947 -18.53017605 0.0002420725543 31.91486227 31.90844345 0.006721727558
|
|
606 8 200.201625 -18.76041025 -18.76206564 0.0002069236799 30.90568792 30.8733052 0.007527439386
|
|
607 8 200.201625 -18.22395784 -18.22903582 0.0006347473863 33.12659199 33.12716182 0.009402169333
|
|
608 8 200.201625 -18.61160741 -18.61183888 2.893342614e-05 31.6127633 31.59525028 0.01057188058
|
|
609 8 200.201625 -18.7842429 -18.78582688 0.0001979977793 30.80734145 30.77042018 0.007159767729
|
|
610 8 200.201625 -18.33190925 -18.33189416 1.88670556e-06 32.61623614 32.62120095 0.01389077157
|
|
611 8 200.201625 -18.7971023 -18.79850544 0.0001753928562 30.76024631 30.71977199 0.006963819325
|
|
612 8 200.201625 -18.80619722 -18.80748435 0.000160890661 30.7259983 30.68323853 0.00653711956
|
|
613 8 200.201625 -18.7065878 -18.70876476 0.0002721203749 31.08673335 31.07104568 0.00505000986
|
|
614 8 200.201625 -18.02120358 -18.02219921 0.0001244539597 33.96096683 33.91912841 0.02481538015
|
|
615 8 200.201625 -18.16700126 -18.17025857 0.0004071638879 33.34287272 33.33269249 0.01625034745
|
|
# Strain.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
616 8 200.3335508 -38.68900179 -38.70258669 0.001698113057 9.565186643e-05 0 1.608156277e-05
|
|
617 8 229.4398214 -37.68676889 -37.67775132 0.001127196544 5.182495209e-05 0 7.298172495e-06
|
|
618 8 228.0782799 -37.90625827 -37.92256116 0.002037861352 8.592653988e-05 0 1.557756838e-05
|
|
619 8 217.5990433 -38.33496346 -38.35404444 0.002385123021 7.515002823e-05 0 1.257115363e-05
|
|
620 8 203.2571875 -37.98265342 -37.97890348 0.0004687424768 5.830887351e-05 0 9.791334031e-06
|
|
621 8 202.6170281 -38.12129844 -38.10663521 0.001832903296 8.065913458e-05 0 1.209999551e-05
|
|
622 8 166.9416446 -37.05570303 -37.06560865 0.0012382023 0.0002042435177 0 3.126256473e-05
|
|
623 8 211.7144728 -38.43592269 -38.44489458 0.001121486296 7.737346865e-05 0 1.286364658e-05
|
|
624 8 214.1832155 -38.22730582 -38.22591978 0.0001732545822 7.47689263e-05 0 1.180430186e-05
|
|
625 8 196.1054575 -38.69736158 -38.71102348 0.001707737721 6.957694407e-05 0 9.08607354e-06
|
|
626 8 177.8472768 -37.93770754 -37.9483308 0.001327907438 0.0001584098134 0 2.95542407e-05
|
|
627 8 189.5028666 -38.13640688 -38.13417254 0.0002792918924 0.000119036187 0 2.101015014e-05
|
|
628 8 162.7593198 -36.66604204 -36.6664979 5.698213209e-05 0.0002855913925 0 4.903520566e-05
|
|
629 8 184.9266458 -38.44838203 -38.46259083 0.001776099527 0.0001269777129 0 2.001870663e-05
|
|
630 8 189.2373161 -38.08092174 -38.07805907 0.00035783359 0.0001038943262 0 1.778666194e-05
|
|
631 8 187.4715245 -38.4088435 -38.41703276 0.001023657832 8.411252547e-05 0 1.14327751e-05
|
|
632 8 211.5385643 -38.45414035 -38.4679551 0.001726843449 9.078143599e-05 0 1.71098302e-05
|
|
633 8 163.0620529 -36.28138033 -36.26472406 0.002082033375 0.0002868930147 0 5.038282066e-05
|
|
634 8 202.9235577 -38.11919963 -38.1282619 0.001132784366 8.308928705e-05 0 1.509920182e-05
|
|
635 8 180.9458101 -38.06398427 -38.08222169 0.002279677784 0.0001208916357 0 1.701634743e-05
|
|
636 8 221.7281625 -38.1262812 -38.1401102 0.001728624765 6.796200825e-05 0 9.454784836e-06
|
|
637 8 198.326172 -38.27957016 -38.28172569 0.0002694410784 6.212151485e-05 0 9.327522978e-06
|
|
638 8 191.0071238 -38.27417249 -38.28758136 0.001676108218 9.032820238e-05 0 1.579931208e-05
|
|
639 8 176.7300035 -37.3164002 -37.3050262 0.001421749397 0.0001457613277 0 2.330018138e-05
|
|
640 8 165.8100483 -36.9469799 -36.95721097 0.001278883313 0.000161656213 0 2.657122608e-05
|
|
641 8 195.8480944 -38.43793509 -38.43899557 0.0001325595105 9.439718829e-05 0 1.557868903e-05
|
|
642 8 169.2676996 -37.05623147 -37.05934352 0.0003890064263 0.0001099479053 0 1.906299299e-05
|
|
643 8 163.1648708 -36.71295378 -36.71493496 0.0002476474388 0.0001324062273 0 2.28514266e-05
|
|
644 8 188.1146032 -38.32599667 -38.33632133 0.001290582961 8.989250849e-05 0 1.328474765e-05
|
|
645 8 163.5437223 -36.79995378 -36.79425161 0.0007127706842 0.0002857716922 0 4.694955308e-05
|
|
646 8 221.1237548 -38.19697768 -38.21519129 0.002276700687 7.82639317e-05 0 1.344669681e-05
|
|
647 8 227.4098215 -37.96509744 -37.98550076 0.002550415257 5.272192113e-05 0 7.301672215e-06
|
|
648 8 194.0426321 -38.16999474 -38.15380832 0.002023302267 0.0001009482624 0 1.842051635e-05
|
|
649 8 218.2653475 -38.07207877 -38.07617611 0.000512167194 7.262325601e-05 0 1.269270931e-05
|
|
650 8 221.0594946 -38.09388983 -38.10211299 0.001027895326 7.350428377e-05 0 1.23281321e-05
|
|
651 8 202.4676955 -38.39442112 -38.39252912 0.0002365004311 6.427898847e-05 0 8.624722605e-06
|
|
652 8 246.3593029 -36.97318701 -36.97481197 0.0002031203774 7.372238022e-05 0 1.19516651e-05
|
|
653 8 200.3581393 -38.18771035 -38.16239523 0.003164390023 8.592749392e-05 0 1.497731472e-05
|
|
654 8 141.8890198 -32.22832294 -32.18589704 0.005303237558 0.0007949273387 0 0.0001425816998
|
|
655 8 191.7516584 -38.38969283 -38.39299598 0.0004128942838 3.959778699e-05 0 6.33383739e-06
|
|
656 8 178.5473794 -37.96953636 -37.98407917 0.001817850836 0.0001100999621 0 1.45011719e-05
|
|
657 8 177.8713076 -37.94220621 -37.95163819 0.001178997275 0.0001463276505 0 2.437035126e-05
|
|
658 8 203.7057823 -38.24724384 -38.24193762 0.0006632770912 9.189089607e-05 0 1.716805388e-05
|
|
659 8 221.8525243 -37.87980926 -37.87591984 0.0004861779772 6.102191707e-05 0 7.832806743e-06
|
|
660 8 149.0403918 -34.14688004 -34.1201446 0.00334193005 0.0005425421144 0 9.277248336e-05
|
|
661 8 180.8623672 -38.22030399 -38.23180712 0.001437891445 0.000132481799 0 2.374044652e-05
|
|
662 8 137.6430743 -30.75067723 -30.75189792 0.0001525863087 0.0008478360848 0 0.0001399223898
|
|
663 8 197.135318 -38.25399699 -38.23907453 0.001865307148 8.987368694e-05 0 1.367724269e-05
|
|
664 8 173.2294161 -37.65401281 -37.6586922 0.0005849239339 0.0001663713111 0 2.627670756e-05
|
|
665 8 169.9240347 -37.52746913 -37.53059169 0.000390319576 0.0002199781681 0 3.992745905e-05
|
|
666 8 186.4922502 -38.24489666 -38.25030306 0.0006757994994 9.373511935e-05 0 1.282517361e-05
|
|
667 8 231.7140705 -37.44952369 -37.44655603 0.0003709571321 3.612101668e-05 0 5.350798343e-06
|
|
668 8 188.2844459 -38.39683433 -38.40387361 0.0008799095774 0.0001150494083 0 2.047477688e-05
|
|
669 8 176.2720605 -37.64584351 -37.64901469 0.0003963976809 0.0001398472609 0 1.999640383e-05
|
|
670 8 148.3227116 -33.9844539 -33.95941672 0.003129647704 0.0005371046372 0 9.739829648e-05
|
|
671 8 169.4815337 -37.40392308 -37.41150461 0.000947690729 0.0002083233424 0 3.134838333e-05
|
|
672 8 223.5961964 -37.88761469 -37.88116747 0.0008059024676 9.488657888e-05 0 1.902928889e-05
|
|
673 8 210.7071543 -38.47200694 -38.48146633 0.001182424066 2.300922039e-05 0 2.99314086e-06
|
|
674 8 189.0498251 -38.35458372 -38.36376178 0.001147257943 0.0001048027015 0 1.46918256e-05
|
|
675 8 189.2172923 -38.17584385 -38.17149294 0.0005438638397 0.0001107404791 0 1.91614175e-05
|
|
676 8 165.8045836 -36.98808622 -36.99497347 0.0008609063984 0.000210350609 0 3.503226931e-05
|
|
677 8 223.3891367 -37.85173352 -37.84502676 0.0008383452939 6.940207997e-05 0 1.126803655e-05
|
|
678 8 251.2864893 -36.70149785 -36.69980308 0.0002118463533 7.515892093e-05 0 1.193587641e-05
|
|
679 8 150.038164 -34.41243931 -34.39618318 0.002032015987 0.0004506173566 0 7.094386586e-05
|
|
680 8 176.6711513 -37.94683433 -37.9620267 0.00189904638 0.0001105230248 0 1.56001515e-05
|
|
681 8 173.6781768 -37.58151422 -37.58580998 0.000536969536 0.0001846678477 0 2.972207079e-05
|
|
682 8 164.4272804 -36.73404298 -36.73718943 0.000393306772 0.0003053545494 0 5.432995601e-05
|
|
683 8 201.9318491 -38.6308909 -38.64271162 0.001477590429 9.182793132e-05 0 1.676881837e-05
|
|
684 8 178.915824 -38.05711719 -38.06390433 0.0008483928318 8.979089667e-05 0 1.401912544e-05
|
|
685 8 186.137401 -38.34255314 -38.3506291 0.001009494578 0.0001074991027 0 1.593390785e-05
|
|
686 8 214.4694873 -38.2039676 -38.20349423 5.917104872e-05 7.123738757e-05 0 1.262502052e-05
|
|
687 8 181.5897676 -38.16082777 -38.17182774 0.001374996628 0.0001512081239 0 2.936299349e-05
|
|
688 8 167.515933 -37.1953563 -37.20028774 0.0006164301302 0.0001634142417 0 2.208647351e-05
|
|
689 8 176.0508922 -37.98652457 -37.9956655 0.001142616791 0.0001820613461 0 3.355022809e-05
|
|
690 8 182.8085861 -37.65443303 -37.6417173 0.001589466417 0.0001396055456 0 2.32864336e-05
|
|
691 8 210.0945817 -38.13903245 -38.13342759 0.0007006069398 8.008181722e-05 0 1.548056507e-05
|
|
692 8 178.665713 -37.92143544 -37.92785728 0.000802729864 0.0001197488576 0 2.076982429e-05
|
|
693 8 215.9752421 -38.03071102 -38.01680861 0.001737801463 6.099345495e-05 0 8.355789878e-06
|
|
694 8 165.0314682 -36.85741316 -36.86219055 0.0005971741301 0.0002759078594 0 4.623447885e-05
|
|
695 8 165.1229899 -36.39465194 -36.37496414 0.002460975521 0.0002562720956 0 3.996770096e-05
|
|
696 8 203.8768931 -38.59573659 -38.60882595 0.001636169911 6.061466221e-05 0 8.089240079e-06
|
|
697 8 195.7185102 -38.41169951 -38.41164674 6.595696587e-06 8.65857827e-05 0 1.438301137e-05
|
|
698 8 195.0149707 -38.36783057 -38.37471854 0.0008609959366 8.316533808e-05 0 1.431834984e-05
|
|
699 8 210.025617 -38.53801479 -38.5528798 0.001858126595 6.404460009e-05 0 9.548948316e-06
|
|
700 8 178.1759417 -37.74542964 -37.74907836 0.0004560901244 0.0001377822456 0 2.272161785e-05
|
|
701 8 215.9057921 -37.99679295 -37.98660224 0.001273838407 8.093702605e-05 0 1.475684462e-05
|
|
702 8 203.217777 -38.04303212 -38.05536061 0.00154106102 8.596219765e-05 0 1.608969823e-05
|
|
703 8 232.680727 -37.69388864 -37.70848743 0.001824848879 9.352238478e-05 0 1.741747267e-05
|
|
704 8 177.8274734 -37.69736244 -37.69848404 0.0001401999353 0.0001000187928 0 1.589597179e-05
|
|
705 8 209.6322873 -38.16613353 -38.1581976 0.0009919907125 6.679790761e-05 0 9.420783051e-06
|
|
706 8 189.3908007 -38.22333961 -38.2271875 0.0004809863767 8.994729002e-05 0 1.283798437e-05
|
|
707 8 211.7697192 -38.1199037 -38.10974495 0.001269843317 7.738216315e-05 0 1.187062744e-05
|
|
708 8 187.516657 -38.19041113 -38.18945929 0.0001189793854 0.000116549757 0 2.043618298e-05
|
|
709 8 178.988231 -37.85526105 -37.87240443 0.002142922306 0.0001414184348 0 1.986176198e-05
|
|
710 8 176.9270057 -37.8699407 -37.88970065 0.002469994012 0.0001188355274 0 1.719012565e-05
|
|
711 8 188.9104606 -38.48920711 -38.49810833 0.001112652665 9.119586443e-05 0 1.332633576e-05
|
|
712 8 158.7492019 -36.10210454 -36.09178528 0.001289907483 0.0002848209654 0 4.090885095e-05
|
|
713 8 217.9860651 -37.65045986 -37.64255672 0.0009878926648 6.493865308e-05 0 1.123805816e-05
|
|
714 8 175.5110877 -37.52996755 -37.53226806 0.0002875632349 0.0001514099397 0 2.574758877e-05
|
|
715 8 183.072822 -37.63457737 -37.61645032 0.002265881283 9.892357528e-05 0 1.345059485e-05
|
|
716 8 208.5037009 -38.34567575 -38.33706113 0.001076826956 7.851891539e-05 0 1.408905915e-05
|
|
717 8 203.2642284 -38.58030909 -38.58927092 0.00112022858 7.230667024e-05 0 9.534541993e-06
|
|
718 8 195.1625734 -38.29227498 -38.28361504 0.00108249284 7.652887337e-05 0 1.159167401e-05
|
|
719 8 199.8729233 -38.49304326 -38.49831134 0.0006585102717 6.407599598e-05 0 8.47945696e-06
|
|
720 8 164.697941 -36.85345875 -36.86418265 0.001340488012 0.0002803640475 0 5.265797096e-05
|
|
721 8 191.9163409 -38.12696453 -38.12571285 0.0001564602743 5.816503243e-05 0 9.852044788e-06
|
|
722 8 169.4969962 -37.15307914 -37.16018574 0.0008883245504 0.0002068609572 0 3.15773118e-05
|
|
723 8 228.1120265 -37.83539171 -37.84172597 0.000791783025 5.288804707e-05 0 7.388091665e-06
|
|
724 8 168.8944757 -37.30742515 -37.31755842 0.001266659341 0.0002067444179 0 3.030916057e-05
|
|
725 8 180.9898447 -38.1437995 -38.15256177 0.001095284114 0.0001547589141 0 2.600691229e-05
|
|
726 8 158.9971961 -35.96380193 -35.95761802 0.0007729887954 0.0002902255432 0 4.615340561e-05
|
|
727 8 151.0609459 -34.63407543 -34.61909272 0.001872838383 0.0004839510766 0 7.394246745e-05
|
|
728 8 176.4503294 -37.83687922 -37.85506345 0.00227302925 0.0001453821318 0 2.481579901e-05
|
|
729 8 181.5066021 -37.89505808 -37.89464269 5.192315662e-05 0.0001304506073 0 2.273730814e-05
|
|
730 8 203.909696 -38.59096266 -38.6013366 0.001296743008 9.473850361e-05 0 1.76056299e-05
|
|
731 8 205.1126777 -38.62972341 -38.64391104 0.001773453948 8.759095623e-05 0 1.647261185e-05
|
|
732 8 184.5445717 -38.24463573 -38.25124586 0.0008262664803 0.0001213825912 0 2.007118304e-05
|
|
733 8 199.8401153 -38.48718548 -38.49052576 0.0004175355955 7.765142322e-05 0 1.202645854e-05
|
|
734 8 223.1986796 -38.00766009 -38.00996625 0.0002882697141 8.055533497e-05 0 1.404964883e-05
|
|
735 8 199.6805693 -38.11980976 -38.12342029 0.0004513161181 4.012871004e-05 0 5.839774644e-06
|
|
736 8 252.8403791 -36.60467775 -36.60069974 0.000497250998 4.362622093e-05 0 5.800414461e-06
|
|
737 8 198.5107918 -38.54782154 -38.55416607 0.0007930665431 8.000233616e-05 0 1.209506428e-05
|
|
738 8 240.2746556 -37.12835962 -37.1201504 0.001026152991 7.196035985e-05 0 1.119271318e-05
|
|
739 8 259.7921517 -36.17903854 -36.16807589 0.00137033142 8.573248044e-05 0 1.415301596e-05
|
|
740 8 208.9685096 -38.25515989 -38.25731067 0.0002688475667 6.62769562e-05 0 9.766768348e-06
|
|
741 8 177.7599007 -37.93571206 -37.94132829 0.0007020287773 0.0001203311204 0 1.99352064e-05
|
|
742 8 172.6442454 -37.38973837 -37.40288021 0.001642729557 0.0001853464431 0 2.767064783e-05
|
|
743 8 241.5000559 -37.19108733 -37.18998008 0.0001384067498 2.758449295e-05 0 3.960379498e-06
|
|
744 8 196.2156966 -38.33425212 -38.32809071 0.0007701762906 7.977303582e-05 0 1.403479802e-05
|
|
745 8 203.9057851 -38.27831601 -38.26043357 0.002235305183 6.417934147e-05 0 9.690866397e-06
|
|
746 8 199.4411869 -38.49270061 -38.50073488 0.001004283446 7.615440794e-05 0 1.148120704e-05
|
|
747 8 161.6371721 -36.55747018 -36.54552229 0.001493485917 0.0002872363855 0 5.343042756e-05
|
|
748 8 190.7988936 -38.33197655 -38.33313359 0.0001446297125 6.61851655e-05 0 7.875518902e-06
|
|
749 8 177.5846932 -38.07878165 -38.08884104 0.001257423163 0.000118602778 0 1.669279909e-05
|
|
750 8 183.4941491 -38.13629079 -38.14896174 0.00158386899 5.201648347e-05 0 7.243552467e-06
|
|
751 8 217.0790583 -38.1187873 -38.11551751 0.0004087232175 7.383534434e-05 0 1.286490531e-05
|
|
752 8 190.5854002 -38.00960069 -38.00238369 0.0009021249034 6.555276633e-05 0 9.668217029e-06
|
|
753 8 186.9273445 -38.50128355 -38.51484545 0.00169523789 4.668932778e-05 0 6.789835811e-06
|
|
754 8 163.1480345 -36.62536379 -36.63011742 0.0005942033321 0.0002950135761 0 5.206052484e-05
|
|
755 8 175.7133436 -37.50201783 -37.50782974 0.0007264883235 0.0001716260945 0 2.877899224e-05
|
|
756 8 187.4352249 -38.18666547 -38.19574518 0.001134963534 0.0001175302187 0 1.941783691e-05
|
|
757 8 235.9667545 -37.44503979 -37.44663736 0.0001996958052 9.085965042e-05 0 1.576522309e-05
|
|
758 8 188.7917546 -38.50931842 -38.51944094 0.001265314401 9.935993794e-05 0 1.586135015e-05
|
|
759 8 198.6797261 -38.54672635 -38.55319409 0.0008084670611 8.454946359e-05 0 1.462436025e-05
|
|
760 8 218.5738522 -38.25109833 -38.26396663 0.001608537217 6.740437564e-05 0 9.828373314e-06
|
|
761 8 197.9237998 -38.50230642 -38.5080721 0.0007207101233 6.765638008e-05 0 1.05562173e-05
|
|
762 8 202.6115429 -38.26328527 -38.26933466 0.0007561742151 8.360131716e-05 0 1.519744708e-05
|
|
763 8 161.98975 -36.52381648 -36.530783 0.0008708153465 0.0003177760264 0 5.027555656e-05
|
|
764 8 192.1771401 -38.54692677 -38.55583708 0.001113788897 7.742294499e-05 0 1.295922584e-05
|
|
765 8 167.5395855 -37.13350481 -37.13792633 0.0005526900662 7.492273242e-05 0 8.677670895e-06
|
|
766 8 169.0524849 -37.03521571 -37.03710464 0.0002361168381 0.0001334344122 0 2.003872764e-05
|
|
767 8 236.4569363 -37.52667701 -37.54088985 0.001776604625 8.222171663e-05 0 1.303342758e-05
|
|
768 8 182.4185299 -38.28059759 -38.29103906 0.001305183795 0.0001514926106 0 2.670442636e-05
|
|
769 8 190.3775792 -38.06492959 -38.05365894 0.001408831485 7.758697086e-05 0 1.271874462e-05
|
|
770 8 176.8166536 -38.06265271 -38.07517253 0.001564976951 0.0001663099553 0 3.068635209e-05
|
|
771 8 194.4023596 -38.66487612 -38.67858527 0.001713643699 8.661441163e-05 0 1.481497229e-05
|
|
772 8 229.8429753 -37.49601896 -37.49215139 0.0004834464247 6.334027133e-05 0 9.8555576e-06
|
|
773 8 205.2030871 -38.40357353 -38.40770728 0.0005167185693 5.213201662e-05 0 7.683153403e-06
|
|
774 8 192.603993 -38.27014338 -38.27252129 0.0002972385992 7.38870664e-05 0 1.031445298e-05
|
|
775 8 199.8416718 -38.63634062 -38.64865823 0.001539701522 7.400143237e-05 0 1.295695436e-05
|
|
776 8 206.3467645 -38.15703361 -38.13954779 0.002185727175 6.871551371e-05 0 1.111826858e-05
|
|
777 8 189.698767 -38.15853975 -38.16755307 0.001126665579 9.645496133e-05 0 1.512372093e-05
|
|
778 8 199.5217211 -38.17311714 -38.14767289 0.003180531242 8.582987676e-05 0 1.420162512e-05
|
|
# aIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
779 216 5415.868678 -1039.810638 -1039.913414 0.000475817934 0.7908453706 1.017938253 0.00887792571
|
|
780 216 5415.868678 -1039.83496 -1039.940401 0.000488154643 0.4821880233 0.4416147911 0.00639702109
|
|
781 216 5415.868678 -1039.841654 -1039.942313 0.000466015385 0.4174423784 0.3740876674 0.006529851822
|
|
782 216 5415.868678 -1039.847249 -1039.948068 0.0004667560501 0.3369747877 0.220094134 0.006374820356
|
|
783 216 5415.868678 -1039.850755 -1039.950337 0.0004610296759 0.2853210325 0.1757734766 0.006908579125
|
|
784 216 5415.868678 -1039.851664 -1039.95188 0.0004639619833 0.2824033978 0.1165465795 0.006438661107
|
|
785 216 5415.868678 -1039.852094 -1039.952499 0.0004648354938 0.2915021701 0.1440125494 0.00621825641
|
|
786 216 5415.868678 -1039.853277 -1039.952996 0.0004616627392 0.2793208878 0.1072842068 0.006290779169
|
|
787 216 5415.868678 -1039.719247 -1039.962403 0.001125723319 1.142002702 1.1595725 0.01185348845
|
|
788 216 5415.868678 -1039.758684 -1039.990461 0.00107304533 0.7589264701 0.4417744661 0.009895997148
|
|
789 216 5415.868678 -1039.769672 -1039.988357 0.001012432308 0.6587898325 0.3432431721 0.01053518293
|
|
790 216 5415.868678 -1039.777008 -1039.992099 0.0009957879837 0.6140227028 0.2217566222 0.0106841028
|
|
791 216 5415.868678 -1039.783777 -1039.993394 0.0009704482934 0.5769587866 0.1853806847 0.0112042626
|
|
792 216 5415.868678 -1039.78524 -1039.993081 0.0009622302513 0.5705819769 0.2083624888 0.0112978411
|
|
793 216 5415.868678 -1039.810638 -1039.913414 0.000475817934 0.7908453706 1.017938253 0.00887792571
|
|
794 216 5415.868678 -1039.83496 -1039.940401 0.000488154643 0.4821880233 0.4416147911 0.00639702109
|
|
795 216 5415.868678 -1039.841654 -1039.942313 0.000466015385 0.4174423784 0.3740876674 0.006529851822
|
|
796 216 5415.868678 -1039.847249 -1039.948068 0.0004667560501 0.3369747877 0.220094134 0.006374820356
|
|
797 216 5415.868678 -1039.850755 -1039.950337 0.0004610296759 0.2853210325 0.1757734766 0.006908579125
|
|
798 216 5415.868678 -1039.851664 -1039.95188 0.0004639619833 0.2824033978 0.1165465795 0.006438661107
|
|
799 216 5415.868678 -1039.852094 -1039.952499 0.0004648354938 0.2915021701 0.1440125494 0.00621825641
|
|
800 216 5415.868678 -1039.853277 -1039.952996 0.0004616627392 0.2793208878 0.1072842068 0.006290779169
|
|
801 216 5415.868678 -1039.810638 -1039.913414 0.000475817934 0.7908453706 1.017938253 0.00887792571
|
|
802 216 5415.868678 -1039.83496 -1039.940401 0.000488154643 0.4821880233 0.4416147911 0.00639702109
|
|
803 216 5415.868678 -1039.841654 -1039.942313 0.000466015385 0.4174423784 0.3740876674 0.006529851822
|
|
804 216 5415.868678 -1039.847249 -1039.948068 0.0004667560501 0.3369747877 0.220094134 0.006374820356
|
|
805 216 5415.868678 -1039.850755 -1039.950337 0.0004610296759 0.2853210325 0.1757734766 0.006908579125
|
|
806 216 5415.868678 -1039.851664 -1039.95188 0.0004639619833 0.2824033978 0.1165465795 0.006438661107
|
|
807 216 5415.868678 -1039.852094 -1039.952499 0.0004648354938 0.2915021701 0.1440125494 0.00621825641
|
|
808 216 5415.868678 -1039.853277 -1039.952996 0.0004616627392 0.2793208878 0.1072842068 0.006290779169
|
|
809 216 5415.868678 -1039.819259 -1039.947071 0.0005917214968 0.6248439038 0.7413807657 0.007257904505
|
|
810 216 5415.868678 -1039.834587 -1039.966695 0.0006116118938 0.4438648629 0.4245499835 0.006125332449
|
|
811 216 5415.868678 -1039.843652 -1039.974893 0.0006076006336 0.3153769418 0.2530880664 0.006828137121
|
|
812 216 5415.868678 -1039.845743 -1039.977291 0.0006090191895 0.2846083615 0.129504055 0.006137806865
|
|
813 216 5415.868678 -1039.846548 -1039.977676 0.0006070750176 0.2744060698 0.1182526597 0.00604680368
|
|
814 216 5415.868678 -1039.846972 -1039.978139 0.0006072549335 0.2699708532 0.07186824953 0.006071019897
|
|
815 216 5415.868678 -1039.847116 -1039.978057 0.0006062111458 0.271417089 0.08924101881 0.006452719032
|
|
816 216 5415.868678 -1039.847285 -1039.978138 0.0006058017662 0.2723847177 0.06099855641 0.006417310026
|
|
817 216 5415.868678 -1039.847267 -1039.977959 0.0006050547795 0.275475896 0.06363151345 0.00642468613
|
|
818 216 5415.868678 -1039.76918 -1040.021046 0.001166042806 0.6108081687 0.7322829425 0.008792820145
|
|
819 216 5415.868678 -1039.780157 -1040.03964 0.001201308987 0.4937934609 0.4170669564 0.008448572548
|
|
820 216 5415.868678 -1039.782327 -1040.046627 0.001223609217 0.5246572602 0.2544630439 0.009210089878
|
|
821 216 5415.868678 -1039.784791 -1040.048072 0.001218892596 0.5065173074 0.1307610506 0.008805855102
|
|
822 216 5415.868678 -1039.785891 -1040.047681 0.001211994738 0.5004783679 0.1384518274 0.008649415031
|
|
823 216 5415.868678 -1039.786287 -1040.048038 0.00121180898 0.5175289273 0.08134266113 0.008734825384
|
|
824 216 5415.868678 -1039.786273 -1040.047773 0.00121064837 0.5361902605 0.09315793582 0.008934301572
|
|
825 216 5415.868678 -1039.787684 -1040.047133 0.001201148943 0.5319223186 0.06687219325 0.008900748196
|
|
826 216 5415.868678 -1039.789831 -1040.045233 0.001182416907 0.527942943 0.08595855114 0.009012583417
|
|
827 216 5415.868678 -1039.719247 -1039.962403 0.001125723319 1.142002702 1.1595725 0.01185348845
|
|
828 216 5415.868678 -1039.758684 -1039.990461 0.00107304533 0.7589264701 0.4417744661 0.009895997148
|
|
829 216 5415.868678 -1039.769672 -1039.988357 0.001012432308 0.6587898325 0.3432431721 0.01053518293
|
|
830 216 5415.868678 -1039.777008 -1039.992099 0.0009957879837 0.6140227028 0.2217566222 0.0106841028
|
|
831 216 5415.868678 -1039.783777 -1039.993394 0.0009704482934 0.5769587866 0.1853806847 0.0112042626
|
|
832 216 5415.868678 -1039.78524 -1039.993081 0.0009622302513 0.5705819769 0.2083624888 0.0112978411
|
|
# aP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
833 216 5415.868678 -1045.065221 -1045.371605 0.001418441699 0.801164225 0.2056122414 0.0107651657
|
|
834 216 5415.868678 -1045.07194 -1045.387251 0.001459771438 0.6615176103 0.5634887309 0.01282321356
|
|
835 216 5415.868678 -1045.070862 -1045.372662 0.001397221876 0.7256170371 0.1267534799 0.01087032015
|
|
836 216 5415.868678 -1045.076593 -1045.3726 0.001370403352 0.6410809756 0.1260010575 0.01128154866
|
|
837 216 5415.868678 -1045.078578 -1045.373362 0.001364737846 0.6149509059 0.1115001942 0.01106009175
|
|
838 216 5415.868678 -1045.082007 -1045.374601 0.001354601022 0.5610734179 0.200863598 0.01069609574
|
|
839 216 5415.868678 -1045.08228 -1045.374654 0.001353581516 0.5533446973 0.2537893242 0.01066775093
|
|
840 216 5415.868678 -1045.08233 -1045.375055 0.001355207869 0.5495622579 0.2678066546 0.01067155036
|
|
841 216 5415.868678 -1045.082206 -1045.37638 0.001361915942 0.5425204126 0.3115796338 0.01067378198
|
|
842 216 5415.868678 -1045.080622 -1045.37952 0.001383787615 0.5509218511 0.399180933 0.01098583873
|
|
843 216 5415.868678 -875.3019893 -875.1039748 0.0009167338555 22.55027528 21.65242249 0.113459931
|
|
844 216 5415.868678 -891.5587531 -891.3737103 0.000856679865 14.33899516 15.02942454 0.1413291263
|
|
845 216 5415.868678 -1045.589047 -1045.918791 0.001526593913 0.2546239753 0.08711264222 0.005239438152
|
|
846 216 5415.868678 -1045.589513 -1045.91902 0.001525498016 0.2392067915 0.05122783398 0.005238222153
|
|
847 216 5415.868678 -1045.589794 -1045.919073 0.001524436535 0.2294465313 0.051086047 0.005328355228
|
|
848 216 5415.868678 -1045.589957 -1045.919187 0.00152421304 0.2253050415 0.03946791996 0.005225495396
|
|
849 216 5415.868678 -1045.59021 -1045.919279 0.00152347094 0.2189563994 0.05102014202 0.005126419839
|
|
850 216 5415.868678 -1045.590336 -1045.919343 0.001523182909 0.2154363659 0.03612120006 0.005027204927
|
|
851 216 5415.868678 -1045.590451 -1045.919359 0.001522723966 0.2116966921 0.02945396537 0.004959923112
|
|
852 216 5415.868678 -1045.590476 -1045.919408 0.001522832896 0.210928191 0.01787469703 0.005033930589
|
|
853 216 5415.868678 -1045.590484 -1045.919437 0.001522928346 0.2106669045 0.01385266321 0.005124297048
|
|
# aa.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
854 216 5415.868678 -1042.270887 -1042.707856 0.002023004826 1.25107143 1.124941462 0.01624040842
|
|
855 216 5415.868678 -1042.32413 -1042.753184 0.001986362246 0.7064879363 0.03353359845 0.0168270554
|
|
856 216 5415.868678 -1042.31072 -1042.744782 0.002009544989 0.8301452262 0.3864978695 0.01605311372
|
|
857 216 5415.868678 -1042.319118 -1042.7478 0.001984641017 0.7352830586 0.2784465482 0.01715606599
|
|
858 216 5415.868678 -1042.321577 -1042.750729 0.00198681364 0.7194060863 0.154138691 0.01680965884
|
|
859 216 5415.868678 -1042.322632 -1042.751675 0.001986312789 0.7196490673 0.1271175868 0.01672156891
|
|
860 216 5415.868678 -1042.323527 -1042.752367 0.00198536986 0.7157164229 0.07123730969 0.01674595253
|
|
861 216 5415.868678 -1042.324039 -1042.752493 0.001983585673 0.7149845404 0.08295995956 0.01685091534
|
|
862 216 5415.868678 -1042.324675 -1042.752825 0.001982176099 0.7068616533 0.05721258148 0.01691010466
|
|
863 216 5415.868678 -1042.325222 -1042.752919 0.001980076759 0.698505118 0.06234967692 0.01703858141
|
|
864 216 5415.868678 -1042.270887 -1042.707856 0.002023004826 1.25107143 1.124941462 0.01624040842
|
|
865 216 5415.868678 -1042.32413 -1042.753184 0.001986362246 0.7064879363 0.03353359845 0.0168270554
|
|
866 216 5415.868678 -1042.31072 -1042.744782 0.002009544989 0.8301452262 0.3864978695 0.01605311372
|
|
867 216 5415.868678 -1042.319118 -1042.7478 0.001984641017 0.7352830586 0.2784465482 0.01715606599
|
|
868 216 5415.868678 -1042.321577 -1042.750729 0.00198681364 0.7194060863 0.154138691 0.01680965884
|
|
869 216 5415.868678 -1042.322632 -1042.751675 0.001986312789 0.7196490673 0.1271175868 0.01672156891
|
|
870 216 5415.868678 -1042.323527 -1042.752367 0.00198536986 0.7157164229 0.07123730969 0.01674595253
|
|
871 216 5415.868678 -1042.324039 -1042.752493 0.001983585673 0.7149845404 0.08295995956 0.01685091534
|
|
872 216 5415.868678 -1042.324675 -1042.752825 0.001982176099 0.7068616533 0.05721258148 0.01691010466
|
|
873 216 5415.868678 -1042.325222 -1042.752919 0.001980076759 0.698505118 0.06234967692 0.01703858141
|
|
# iIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
874 217 5415.868678 -1044.184718 -1044.368209 0.0008455786364 1.828385114 1.590246474 0.01172777209
|
|
875 217 5415.868678 -1044.235789 -1044.41869 0.0008428609853 0.4687739472 0.04093255819 0.01230559269
|
|
876 217 5415.868678 -1044.236013 -1044.418765 0.0008421755811 0.4722656267 0.03129665068 0.0123606598
|
|
877 217 5415.868678 -1044.231448 -1044.415602 0.0008486376619 0.546262094 0.3219369032 0.0123618746
|
|
878 217 5415.868678 -1044.233433 -1044.417297 0.0008472978093 0.4708396576 0.1309562771 0.01214180685
|
|
879 217 5415.868678 -1044.233942 -1044.417879 0.0008476375083 0.4679714571 0.08456632131 0.01216655718
|
|
880 217 5415.868678 -1044.234458 -1044.41819 0.0008466898631 0.467611175 0.05834004719 0.01221299712
|
|
881 217 5415.868678 -1044.234631 -1044.418353 0.0008466462735 0.4699018049 0.03210812629 0.01223152653
|
|
882 217 5415.868678 -1044.234702 -1044.418397 0.0008465191123 0.4725657719 0.03769394437 0.01223274438
|
|
883 217 5415.868678 -1044.234972 -1044.418504 0.0008457685411 0.4710558642 0.03139040994 0.01223321077
|
|
884 217 5415.868678 -1044.235664 -1044.41864 0.0008432067075 0.4676813421 0.04872803704 0.01227415742
|
|
885 217 5415.868678 -1044.175036 -1044.709392 0.002462470757 0.8913849656 0.9751257662 0.01237053473
|
|
886 217 5415.868678 -1044.195519 -1044.737893 0.002499417416 0.5665622759 0.3531211174 0.01289097818
|
|
887 217 5415.868678 -1044.196923 -1044.7396 0.002500814861 0.5478496347 0.3683173175 0.01357600642
|
|
888 217 5415.868678 -1044.195111 -1044.744346 0.002531036109 0.5529371904 0.1556555709 0.0133020372
|
|
889 217 5415.868678 -1044.19353 -1044.745134 0.00254195665 0.5669622351 0.1334004578 0.01352876269
|
|
890 217 5415.868678 -1044.192452 -1044.745909 0.002550495655 0.5802145991 0.07807150022 0.01322620412
|
|
891 217 5415.868678 -1044.191101 -1044.746182 0.00255797646 0.596040811 0.07664864454 0.01298190406
|
|
892 217 5415.868678 -1045.030892 -1045.289392 0.00119124481 0.7700587988 0.1544435002 0.01614497292
|
|
893 217 5415.868678 -1045.031891 -1045.290273 0.00119070183 0.7694442701 0.09249652649 0.01631314832
|
|
894 217 5415.868678 -1045.032645 -1045.29058 0.001188640011 0.7731528369 0.1043850086 0.01653684364
|
|
895 217 5415.868678 -1045.034094 -1045.291072 0.001184232733 0.7699045006 0.07778684432 0.01643397203
|
|
896 217 5415.868678 -1045.036163 -1045.291378 0.001176109611 0.7671277032 0.08875913387 0.01629267088
|
|
897 217 5415.868678 -1045.038103 -1045.291838 0.001169283905 0.7655030679 0.05687541319 0.01611889099
|
|
898 217 5415.868678 -1045.039296 -1045.291966 0.001164373842 0.7655117648 0.06699555054 0.01603419592
|
|
899 217 5415.868678 -1045.041628 -1045.292279 0.001155074485 0.757204469 0.04065622818 0.01618922403
|
|
900 217 5415.868678 -1044.902883 -1045.129497 0.001044300421 1.01682156 0.7578153703 0.01550970304
|
|
901 217 5415.868678 -1044.916841 -1045.146191 0.001056911734 0.7979066027 0.2651785197 0.01539218474
|
|
902 217 5415.868678 -1044.917583 -1045.147154 0.00105792891 0.799024712 0.272664719 0.01543380459
|
|
903 217 5415.868678 -1044.920093 -1045.150105 0.001059963104 0.7910871847 0.1577057675 0.01537499489
|
|
904 217 5415.868678 -1044.921795 -1045.151247 0.0010573852 0.790843495 0.1509006587 0.01545126518
|
|
905 217 5415.868678 -1044.567889 -1045.041747 0.002183678909 1.192036657 0.9639030481 0.01311452065
|
|
906 217 5415.868678 -1044.591667 -1045.064022 0.002176751195 0.7230072118 0.4678250268 0.01360671222
|
|
907 217 5415.868678 -1044.591768 -1045.064022 0.00217628747 0.7300595205 0.4885069345 0.01370259646
|
|
908 217 5415.868678 -1044.595858 -1045.071225 0.002190628176 0.6884312226 0.1976647031 0.01388991093
|
|
909 217 5415.868678 -1044.595907 -1045.071961 0.00219379609 0.6958504443 0.1735815301 0.01415745045
|
|
910 217 5415.868678 -1044.567889 -1045.041747 0.002183678909 1.192036657 0.9639030481 0.01311452065
|
|
911 217 5415.868678 -1044.591667 -1045.064022 0.002176751195 0.7230072118 0.4678250268 0.01360671222
|
|
912 217 5415.868678 -1044.591768 -1045.064022 0.00217628747 0.7300595205 0.4885069345 0.01370259646
|
|
913 217 5415.868678 -1044.595858 -1045.071225 0.002190628176 0.6884312226 0.1976647031 0.01388991093
|
|
914 217 5415.868678 -1044.595907 -1045.071961 0.00219379609 0.6958504443 0.1735815301 0.01415745045
|
|
# iP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
915 217 5415.868678 -1047.852178 -1047.962871 0.000510106911 0.5013604968 0.1666941805 0.009512339587
|
|
916 217 5415.868678 -1047.853065 -1047.963557 0.0005091787946 0.4721276693 0.062384911 0.009842481754
|
|
917 217 5415.868678 -1047.85311 -1047.963554 0.0005089580052 0.4712341001 0.06583336322 0.009892273059
|
|
918 217 5415.868678 -1047.853255 -1047.963727 0.0005090911379 0.4712323688 0.04913103115 0.009922170782
|
|
919 217 5415.868678 -1047.853381 -1047.96383 0.0005089795821 0.4761837248 0.06683339966 0.01003548125
|
|
920 217 5415.868678 -1047.853481 -1047.963947 0.0005090602007 0.4748145971 0.05616451051 0.01002056878
|
|
921 217 5415.868678 -1047.853619 -1047.964084 0.0005090565246 0.4724082071 0.04961047584 0.009979221773
|
|
922 217 5415.868678 -1047.88602 -1048.121118 0.001083399652 0.3499283599 0.2809369675 0.00852670778
|
|
923 217 5415.868678 -1047.887246 -1048.125913 0.00109984748 0.3539036523 0.06774237004 0.008124590412
|
|
924 217 5415.868678 -1047.886651 -1048.126029 0.001103128519 0.3583526032 0.08499741858 0.007853741543
|
|
925 217 5415.868678 -1047.886814 -1048.12339 0.001090210817 0.3670377883 0.1577884027 0.007991890471
|
|
926 217 5415.868678 -1047.886874 -1048.123456 0.001090237166 0.3726563309 0.1781628968 0.008192218112
|
|
927 217 5415.868678 -1047.887561 -1048.124344 0.00109116518 0.3521135306 0.09111081152 0.008329775023
|
|
928 217 5415.868678 -1047.887563 -1048.124351 0.001091185133 0.3537121777 0.09792675782 0.008366610199
|
|
929 217 5415.868678 -1047.887835 -1048.124774 0.001091885059 0.3544588145 0.07568275 0.008412938799
|
|
930 217 5415.868678 -1047.888126 -1048.125116 0.001092118727 0.3580532784 0.07452922015 0.008490218485
|
|
931 217 5415.868678 -1047.888022 -1048.125451 0.0010941446 0.3548415732 0.05461869489 0.008436326941
|
|
932 217 5415.868678 -1047.887414 -1048.125749 0.001098316775 0.3532950834 0.08069659617 0.008238015891
|
|
933 217 5415.868678 -1048.266423 -1048.650761 0.001771143161 0.4693529314 0.2177323323 0.00874335961
|
|
934 217 5415.868678 -1048.267678 -1048.651819 0.001770234455 0.4341095255 0.09934669065 0.008708458149
|
|
935 217 5415.868678 -1048.267693 -1048.651815 0.001770148104 0.4340454084 0.1011917514 0.008710895569
|
|
936 217 5415.868678 -1048.268354 -1048.652225 0.001768989816 0.4333248545 0.07297778791 0.008614728161
|
|
937 217 5415.868678 -1048.269232 -1048.652465 0.001766053095 0.4346944656 0.09805056398 0.008593529969
|
|
938 217 5415.868678 -1048.270136 -1048.6528 0.001763430531 0.4301738457 0.07826885322 0.008525935629
|
|
939 217 5415.868678 -1048.260003 -1048.646292 0.001780133479 0.5474553136 0.2128658241 0.009620066398
|
|
940 217 5415.868678 -1048.262128 -1048.64733 0.00177512335 0.4932449311 0.09943664187 0.009661832379
|
|
941 217 5415.868678 -1048.262187 -1048.647328 0.001774840595 0.491948054 0.1036313663 0.009666067998
|
|
942 217 5415.868678 -1048.262965 -1048.647762 0.001773258513 0.4917679489 0.07611764095 0.009551607688
|
|
943 217 5415.868678 -1048.26411 -1048.648045 0.00176928604 0.4942342518 0.1081873822 0.009449126369
|
|
944 217 5415.868678 -1048.265148 -1048.648374 0.001766016539 0.4858661888 0.09237285975 0.009441492164
|
|
945 217 5415.868678 -1047.933811 -1048.20699 0.00125888781 0.4160601851 0.2151057956 0.01011311227
|
|
946 217 5415.868678 -1047.940088 -1048.210499 0.001246135285 0.4059539576 0.02549285035 0.01005916846
|
|
947 217 5415.868678 -1047.934315 -1048.208565 0.001263823316 0.4254353845 0.1244230481 0.00990874376
|
|
948 217 5415.868678 -1047.934486 -1048.208999 0.001265036959 0.4452570222 0.1167395518 0.01019903868
|
|
949 217 5415.868678 -1047.935791 -1048.209563 0.001261619185 0.4342653249 0.07604204528 0.00992823264
|
|
950 217 5415.868678 -1047.937179 -1048.20979 0.001256273243 0.4246020927 0.07088630399 0.009806176598
|
|
951 217 5415.868678 -1047.938317 -1048.210046 0.001252206104 0.4088297166 0.04610705322 0.009993958313
|
|
952 217 5415.868678 -1047.939342 -1048.210101 0.001247738446 0.3948480996 0.05938067539 0.01023144507
|
|
953 217 5415.868678 -1047.93973 -1048.210298 0.001246855602 0.3976679754 0.0418114201 0.01016476279
|
|
954 217 5415.868678 -1047.939946 -1048.210352 0.001246110616 0.4001946624 0.04570540702 0.009990927155
|
|
955 217 5415.868678 -1047.22627 -1046.891795 0.001541359733 0.6085889766 0.1700518373 0.008080805649
|
|
956 217 5415.868678 -1047.241883 -1046.896057 0.001593665684 0.5692671115 0.02034620982 0.008741109293
|
|
957 217 5415.868678 -1047.242445 -1046.89605 0.001596288061 0.5676759413 0.02580251953 0.008717574029
|
|
958 217 5415.868678 -1047.226959 -1046.892878 0.001539542023 0.6132072782 0.1187286726 0.0081823364
|
|
959 217 5415.868678 -1047.227872 -1046.893467 0.001541036776 0.6217573368 0.1479406956 0.008945010057
|
|
960 217 5415.868678 -1047.230487 -1046.894322 0.00154914456 0.6119502028 0.1167119712 0.008853822655
|
|
961 217 5415.868678 -1047.237363 -1046.895491 0.001575446683 0.5871694114 0.08258878379 0.008688212255
|
|
962 217 5415.868678 -1047.239663 -1046.895856 0.001584362917 0.5750529401 0.04173884989 0.008596377456
|
|
963 217 5415.868678 -1047.24046 -1046.895895 0.001587857727 0.5709410745 0.04118416521 0.008562811812
|
|
964 217 5415.868678 -1047.240973 -1046.895999 0.001589741528 0.5708386442 0.02244058595 0.008662951228
|
|
965 217 5415.868678 -1047.241303 -1046.896018 0.001591174748 0.571009143 0.02951170575 0.008760687518
|
|
966 217 5415.868678 -1047.853034 -1047.962887 0.0005062361166 0.4939611253 0.1640326518 0.009352467084
|
|
967 217 5415.868678 -1047.853784 -1047.963621 0.0005061602818 0.4748369486 0.06859171758 0.009668995027
|
|
968 217 5415.868678 -1047.853832 -1047.963624 0.000505953776 0.4751331617 0.07541819671 0.009724690153
|
|
969 217 5415.868678 -1047.854117 -1047.963809 0.0005054945124 0.4719781675 0.05603855868 0.009756042007
|
|
970 217 5415.868678 -1047.854436 -1047.963984 0.0005048311883 0.4720780537 0.07159590343 0.009862937443
|
|
971 217 5415.868678 -1047.85458 -1047.964158 0.000504968158 0.4698545308 0.05239334705 0.009822408452
|
|
972 217 5415.868678 -1047.854681 -1047.964298 0.0005051516593 0.4676523163 0.04998721177 0.009744400217
|
|
973 217 5415.868678 -1047.935187 -1048.207636 0.001255525306 0.4130705046 0.2107035176 0.01003245671
|
|
974 217 5415.868678 -1047.939834 -1048.210544 0.001247509681 0.4054111036 0.02276257474 0.009944259183
|
|
975 217 5415.868678 -1047.940121 -1048.210581 0.001246360868 0.4082717977 0.0347022053 0.009935778073
|
|
976 217 5415.868678 -1047.935737 -1048.20913 0.001259876592 0.4214184837 0.1138751307 0.009895571475
|
|
977 217 5415.868678 -1047.935938 -1048.209503 0.00126066849 0.4367298556 0.1048268015 0.01019612147
|
|
978 217 5415.868678 -1047.93702 -1048.209977 0.001257868492 0.4270379386 0.06440798169 0.009992464095
|
|
979 217 5415.868678 -1047.938917 -1048.210069 0.001249543976 0.4143004365 0.09181000988 0.009801668523
|
|
980 217 5415.868678 -1047.939497 -1048.210334 0.001248098842 0.4045226102 0.0472477842 0.01022628608
|
|
981 217 5415.868678 -1047.939461 -1048.210341 0.001248297163 0.4051729493 0.04343080238 0.0101920002
|
|
982 217 5415.868678 -1047.939556 -1048.210453 0.001248370933 0.4042975646 0.02592953378 0.01005545662
|
|
983 217 5415.868678 -1047.939595 -1048.210475 0.001248292894 0.4041092081 0.03036606273 0.009984175049
|
|
984 217 5415.868678 -1047.449774 -1047.556397 0.0004913494006 0.5874017699 0.2219852875 0.01108819681
|
|
985 217 5415.868678 -1047.458396 -1047.558337 0.0004605571859 0.5616156595 0.02097634267 0.01128824691
|
|
986 217 5415.868678 -1047.458856 -1047.558346 0.0004584778787 0.5593300756 0.02774914188 0.01128972884
|
|
987 217 5415.868678 -1047.451177 -1047.557624 0.000490539471 0.5842609559 0.06408359988 0.01126387964
|
|
988 217 5415.868678 -1047.451193 -1047.557624 0.0004904696594 0.5849359412 0.06428820445 0.01131710927
|
|
989 217 5415.868678 -1047.452085 -1047.557789 0.0004871179575 0.5783247772 0.04599249524 0.01130840941
|
|
990 217 5415.868678 -1047.453434 -1047.557881 0.0004813212898 0.5691911147 0.0604720343 0.0113275916
|
|
991 217 5415.868678 -1047.454317 -1047.558001 0.0004778062756 0.5670843179 0.04955803213 0.011365922
|
|
992 217 5415.868678 -1047.456841 -1047.558168 0.0004669446174 0.5614803258 0.03898771179 0.0114191087
|
|
993 217 5415.868678 -1047.457201 -1047.558246 0.0004656414637 0.5630690232 0.02526134694 0.01136719437
|
|
994 217 5415.868678 -1047.457642 -1047.558285 0.0004637918893 0.5656203589 0.03121301858 0.01130130442
|
|
995 217 5415.868678 -1047.269378 -1047.199833 0.0003204845704 0.3745311668 0.1094295726 0.008598465236
|
|
996 217 5415.868678 -1047.270083 -1047.200383 0.0003211973188 0.3688567878 0.0725054687 0.008536386235
|
|
997 217 5415.868678 -1047.270934 -1047.200815 0.0003231300892 0.3665487357 0.06576947468 0.008423316632
|
|
998 217 5415.868678 -1047.271576 -1047.201052 0.0003249975527 0.3630960734 0.04258302345 0.008607800469
|
|
999 217 5415.868678 -1047.272337 -1047.201187 0.0003278784255 0.360168596 0.04583802548 0.008870574468
|
|
1000 217 5415.868678 -1047.272973 -1047.201282 0.0003303716903 0.3538699484 0.0222291738 0.008622388083
|
|
1001 217 5415.868678 -1047.273303 -1047.201287 0.000331870763 0.3511446406 0.02343844764 0.008495805618
|
|
1002 217 5415.868678 -1047.273721 -1047.201326 0.0003336205695 0.3458207262 0.01731841477 0.008516740759
|
|
1003 217 5415.868678 -1047.274383 -1047.20132 0.0003366972311 0.3373837281 0.03172999738 0.008759602253
|
|
1004 217 5415.868678 -1048.07978 -1048.350803 0.001248951685 0.8772555354 0.3293338275 0.01335446486
|
|
1005 217 5415.868678 -1048.086775 -1048.353641 0.001229795668 0.8144420304 0.1576327256 0.01374292593
|
|
1006 217 5415.868678 -1048.088077 -1048.353731 0.001224212527 0.8098079983 0.1782837436 0.0138418457
|
|
1007 217 5415.868678 -1048.093031 -1048.354993 0.001207199225 0.782894271 0.1279739886 0.01383112095
|
|
1008 217 5415.868678 -1048.099925 -1048.355858 0.001179415777 0.7574998681 0.1748097437 0.01382441107
|
|
1009 217 5415.868678 -1048.254847 -1048.645441 0.001799973565 0.5461739023 0.2062737777 0.009423788472
|
|
1010 217 5415.868678 -1048.257193 -1048.646427 0.001793703316 0.4905441379 0.102252127 0.009359425629
|
|
1011 217 5415.868678 -1048.257328 -1048.646423 0.001793063675 0.4877139668 0.1082905235 0.009373382245
|
|
1012 217 5415.868678 -1048.258424 -1048.646912 0.001790268179 0.4874933534 0.082360134 0.009272174322
|
|
1013 217 5415.868678 -1048.260392 -1048.647309 0.001783026047 0.4900262453 0.1221519993 0.00928978104
|
|
1014 217 5415.868678 -1048.261548 -1048.647665 0.001779341224 0.4824953825 0.1072878071 0.009268513676
|
|
# s_aIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1015 64 1604.70183 -304.1810657 -304.1183733 0.0009795678428 1.565507629 2.305478012 0.05504200165
|
|
1016 64 1604.70183 -304.3914299 -304.3336151 0.0009033564244 0.2562407932 0.2453241073 0.01198660434
|
|
1017 64 1604.70183 -304.3939863 -304.3359385 0.0009069971342 0.2786955277 0.297290712 0.01125313267
|
|
1018 64 1604.70183 -304.3987889 -304.3410358 0.0009023918616 0.232763913 0.1889651571 0.008656773523
|
|
1019 64 1604.70183 -304.4001024 -304.3415103 0.0009155017093 0.2370293563 0.2390069121 0.009561275046
|
|
1020 64 1604.70183 -304.4044168 -304.3453396 0.0009230815114 0.1861803073 0.1580702694 0.008988118166
|
|
1021 64 1604.70183 -304.4059607 -304.345879 0.0009387774907 0.1877917509 0.2095346853 0.009957165185
|
|
1022 64 1604.70183 -304.4085448 -304.3486891 0.0009352452583 0.1529528127 0.1167269161 0.008849997943
|
|
1023 64 1604.70183 -304.408623 -304.3486878 0.0009364876967 0.1542165241 0.1257882307 0.008955191215
|
|
1024 64 1604.70183 -304.4094024 -304.3496753 0.0009332350419 0.1478567812 0.08656506058 0.008252268014
|
|
1025 64 1604.70183 -304.4094204 -304.3496649 0.0009336791586 0.1505616541 0.09839553946 0.008272174153
|
|
1026 64 1604.70183 -304.289355 -304.2685389 0.000325251555 0.7805210533 0.7739179453 0.02014453492
|
|
1027 64 1604.70183 -304.4099237 -304.35005 0.0009355263432 0.1451913236 0.05548809965 0.00785129701
|
|
1028 64 1604.70183 -304.4099285 -304.3500317 0.0009358861935 0.1456946931 0.05817914918 0.007852792121
|
|
1029 64 1604.70183 -304.4102752 -304.3500689 0.0009407233824 0.1410863583 0.04746432576 0.007800152175
|
|
1030 64 1604.70183 -304.4103082 -304.350039 0.0009417059547 0.1411764185 0.05392276555 0.007858070998
|
|
1031 64 1604.70183 -304.4105893 -304.3501572 0.0009442526071 0.1382657254 0.04149611324 0.007700825619
|
|
1032 64 1604.70183 -304.4108747 -304.3500998 0.0009496074355 0.138855402 0.06573590905 0.007839359868
|
|
1033 64 1604.70183 -304.4110173 -304.3502019 0.0009502411077 0.1359833981 0.04268446609 0.007763989369
|
|
1034 64 1604.70183 -304.4111171 -304.3501966 0.0009518818619 0.1355274337 0.03759303824 0.007852269107
|
|
1035 64 1604.70183 -304.4111366 -304.3502444 0.0009514406092 0.1368818708 0.0266449967 0.007662709097
|
|
1036 64 1604.70183 -304.4111094 -304.3502394 0.0009510934149 0.1415645569 0.03983014607 0.007533435141
|
|
1037 64 1604.70183 -304.3044705 -304.2786375 0.0004036402839 0.6693609708 0.6274608625 0.01996972489
|
|
1038 64 1604.70183 -304.4111519 -304.3502727 0.0009512380666 0.14195552 0.03407361622 0.00746055166
|
|
1039 64 1604.70183 -304.4111999 -304.350279 0.0009518894626 0.1449101125 0.03649228113 0.00740722711
|
|
1040 64 1604.70183 -304.4113436 -304.3503264 0.0009533943474 0.141362681 0.02060734287 0.007367146173
|
|
1041 64 1604.70183 -304.4114384 -304.3503244 0.0009549066059 0.13929162 0.02262962547 0.007428772677
|
|
1042 64 1604.70183 -304.3221067 -304.2930629 0.0004538094292 0.5760569086 0.4591655993 0.0173098889
|
|
1043 64 1604.70183 -304.3451857 -304.302465 0.000667510842 0.4942167614 0.5271467328 0.02010460066
|
|
1044 64 1604.70183 -304.3600357 -304.3134536 0.0007278466268 0.3963868988 0.3510297438 0.01700651885
|
|
1045 64 1604.70183 -304.3719663 -304.3167565 0.0008626531924 0.3460367188 0.3867991703 0.01666762527
|
|
1046 64 1604.70183 -304.3803577 -304.3243676 0.000874844823 0.285840248 0.2703584674 0.0141175169
|
|
1047 64 1604.70183 -304.3857753 -304.3264944 0.000926263896 0.2943293048 0.3661117953 0.01544961516
|
|
1048 64 1604.70183 -304.3203445 -304.2154142 0.001639534616 1.132523241 1.908531017 0.04661597503
|
|
1049 64 1604.70183 -304.4087594 -304.3466019 0.0009712107865 0.1643463824 0.1267964189 0.008569624329
|
|
1050 64 1604.70183 -304.4086107 -304.346789 0.0009659645404 0.1725786747 0.1407880367 0.008806071671
|
|
1051 64 1604.70183 -304.4094226 -304.3482432 0.0009559272451 0.162146421 0.08364019503 0.007764233046
|
|
1052 64 1604.70183 -304.4095427 -304.3484492 0.0009545860613 0.1674249634 0.1088728733 0.008040756729
|
|
1053 64 1604.70183 -304.4104756 -304.3493906 0.0009544524078 0.1537587182 0.07352911164 0.007901357965
|
|
1054 64 1604.70183 -304.4107687 -304.3495352 0.000956772727 0.1526972396 0.094011125 0.008331099188
|
|
1055 64 1604.70183 -304.4114607 -304.3501963 0.000957255379 0.1394873417 0.03544713083 0.007540804339
|
|
1056 64 1604.70183 -304.4114928 -304.3502027 0.000957657353 0.1392255117 0.03877790682 0.007589084834
|
|
1057 64 1604.70183 -304.4116225 -304.3502773 0.0009585187667 0.1363117951 0.02709318802 0.00764990066
|
|
1058 64 1604.70183 -304.4116087 -304.350282 0.000958230929 0.1364124547 0.02146921678 0.007580385763
|
|
1059 64 1604.70183 -304.3831409 -304.3175555 0.001024772666 0.4324561786 0.5662425474 0.0142545705
|
|
1060 64 1604.70183 -304.388638 -304.3233002 0.001020902585 0.36413796 0.4481290039 0.01314094075
|
|
1061 64 1604.70183 -304.3947814 -304.3306785 0.00100160861 0.2802763264 0.2795396786 0.01016164191
|
|
1062 64 1604.70183 -304.3992137 -304.3336518 0.001024403905 0.2325148246 0.2667651444 0.01152142421
|
|
1063 64 1604.70183 -304.4021826 -304.3370519 0.00101766748 0.1968564322 0.1924812547 0.01061648811
|
|
1064 64 1604.70183 -304.4051594 -304.3391477 0.001031432319 0.186074912 0.2418722263 0.0118606842
|
|
1065 64 1604.70183 -304.407093 -304.342178 0.001014296656 0.1589718372 0.1716629176 0.01041105962
|
|
1066 64 1604.70183 -304.4081057 -304.3442946 0.0009970479051 0.1725088705 0.2018779887 0.009531861563
|
|
1067 64 1604.70183 -304.3374126 -304.2640743 0.001145910637 0.8593624147 1.396101735 0.03290037813
|
|
1068 64 1604.70183 -304.4038483 -304.3490246 0.0008566199701 0.1623666425 0.09932478683 0.008317000915
|
|
1069 64 1604.70183 -304.4045113 -304.3488221 0.0008701437059 0.1821636499 0.1438079047 0.008319786517
|
|
1070 64 1604.70183 -304.4056645 -304.349352 0.0008798825777 0.1721869676 0.09614615623 0.007722864405
|
|
1071 64 1604.70183 -304.4067312 -304.3493327 0.0008968522104 0.1713927746 0.0925277669 0.007610347628
|
|
1072 64 1604.70183 -304.407749 -304.3496936 0.0009071162394 0.1562494675 0.06338859632 0.007737863997
|
|
1073 64 1604.70183 -304.4087416 -304.3497312 0.0009220379387 0.1456167128 0.08614316355 0.008484631554
|
|
1074 64 1604.70183 -304.408934 -304.3500268 0.0009204255476 0.1482232313 0.06542982386 0.007925951525
|
|
1075 64 1604.70183 -304.4089371 -304.3500416 0.0009202425634 0.1462754681 0.05506129626 0.00789152301
|
|
1076 64 1604.70183 -304.4092348 -304.3502275 0.0009219890146 0.1446291818 0.04561884242 0.007891039697
|
|
1077 64 1604.70183 -304.4097258 -304.3502694 0.0009290072627 0.1479845032 0.08354333774 0.008391570211
|
|
1078 64 1604.70183 -304.3756768 -304.326355 0.0007706527183 0.4457955283 0.578792049 0.01483363699
|
|
1079 64 1604.70183 -304.4098813 -304.3503325 0.0009304489755 0.1454001409 0.0724799242 0.008275637399
|
|
1080 64 1604.70183 -304.4102471 -304.3503793 0.000935434545 0.139993574 0.05049620186 0.007943045459
|
|
1081 64 1604.70183 -304.4102962 -304.3504279 0.0009354414418 0.1388310796 0.04120066338 0.007857225738
|
|
1082 64 1604.70183 -304.4103753 -304.3504582 0.0009362042643 0.1377184389 0.0366293139 0.007700558765
|
|
1083 64 1604.70183 -304.4104263 -304.3504801 0.0009366598398 0.1370590373 0.02817199712 0.007737110718
|
|
1084 64 1604.70183 -304.410488 -304.350421 0.0009385471537 0.1387931982 0.04689948858 0.008028527331
|
|
1085 64 1604.70183 -304.410507 -304.3504164 0.0009389152005 0.1391742949 0.04395007538 0.007996301636
|
|
1086 64 1604.70183 -304.4105466 -304.3503903 0.0009399412339 0.14061144 0.03544340682 0.007808996888
|
|
1087 64 1604.70183 -304.4105833 -304.3504112 0.0009401889413 0.139901149 0.02819657383 0.00773101486
|
|
1088 64 1604.70183 -304.410652 -304.3504197 0.0009411293709 0.1397650775 0.03228016109 0.007627305057
|
|
1089 64 1604.70183 -304.383319 -304.3352632 0.0007508717263 0.3600590749 0.450703478 0.01294425408
|
|
1090 64 1604.70183 -304.3899765 -304.3426703 0.0007391584003 0.2750229849 0.269858148 0.009013347438
|
|
1091 64 1604.70183 -304.3941281 -304.3449414 0.0007685415389 0.2417328945 0.2579784508 0.01043241772
|
|
1092 64 1604.70183 -304.3973982 -304.34731 0.0007826277151 0.1999560194 0.1648922505 0.009055196386
|
|
1093 64 1604.70183 -304.3999624 -304.3474875 0.0008199215246 0.178856989 0.1803554071 0.01005112943
|
|
1094 64 1604.70183 -304.4017867 -304.3485934 0.0008311460158 0.155907315 0.1129201486 0.009114499516
|
|
1095 64 1604.70183 -304.4027455 -304.3483492 0.0008499418947 0.1599494193 0.1350301486 0.00912359478
|
|
1096 64 1604.70183 -304.2342914 -304.200768 0.0005238042537 1.184782717 1.819144301 0.04227503511
|
|
1097 64 1604.70183 -304.3795358 -304.3500865 0.0004601447515 0.2488266109 0.1781286592 0.01071467621
|
|
1098 64 1604.70183 -304.3852397 -304.3487458 0.0005702171784 0.2592590775 0.2557877428 0.01057235429
|
|
1099 64 1604.70183 -304.3908199 -304.3497132 0.0006422931446 0.2245474586 0.1685316444 0.008577790443
|
|
1100 64 1604.70183 -304.3960611 -304.3482204 0.0007475103425 0.214715755 0.1810683098 0.008387820117
|
|
1101 64 1604.70183 -304.3997962 -304.3489849 0.0007939274364 0.1820368735 0.1209871218 0.008209936684
|
|
1102 64 1604.70183 -304.4023643 -304.348199 0.0008463333445 0.1791617479 0.1869501129 0.009648804318
|
|
1103 64 1604.70183 -304.4048598 -304.3488678 0.0008748759482 0.1585402681 0.1442073789 0.009142622261
|
|
1104 64 1604.70183 -304.4079486 -304.34865 0.0009265410993 0.1465193893 0.1459071245 0.009291945871
|
|
1105 64 1604.70183 -304.4089875 -304.3497252 0.0009259734732 0.1371049829 0.08860906191 0.008593367303
|
|
1106 64 1604.70183 -304.4093795 -304.3498542 0.0009300828779 0.1491388931 0.1194539436 0.00892689158
|
|
1107 64 1604.70183 -304.300046 -304.3035592 5.489385375e-05 0.6350707167 0.7503816521 0.01908765464
|
|
1108 64 1604.70183 -304.4098855 -304.3503282 0.0009305834606 0.1460322465 0.0588052323 0.007974474444
|
|
1109 64 1604.70183 -304.4098943 -304.3502574 0.0009318260502 0.1497652391 0.06564837125 0.007807299893
|
|
1110 64 1604.70183 -304.4102331 -304.3502904 0.0009366053437 0.1445121088 0.04628024245 0.007576000651
|
|
1111 64 1604.70183 -304.4103189 -304.3502211 0.0009390282669 0.144389338 0.05833414675 0.007620165335
|
|
1112 64 1604.70183 -304.4106679 -304.3503077 0.0009431291989 0.1398920778 0.03940909731 0.007662921948
|
|
1113 64 1604.70183 -304.4109044 -304.3502268 0.0009480877728 0.1392832517 0.05597878554 0.007884986546
|
|
1114 64 1604.70183 -304.4111524 -304.3503044 0.0009507501814 0.1349660065 0.03320318545 0.007726932813
|
|
1115 64 1604.70183 -304.4112294 -304.3502741 0.0009524271575 0.1344176289 0.04045773374 0.007806225186
|
|
1116 64 1604.70183 -304.4112882 -304.3503404 0.0009523091979 0.1349102289 0.02473106492 0.007621603277
|
|
1117 64 1604.70183 -304.4112809 -304.3503155 0.0009525850275 0.1371640303 0.03600013931 0.007577381946
|
|
1118 64 1604.70183 -304.3104297 -304.3154027 7.770264027e-05 0.5921972245 0.6793914655 0.01925883797
|
|
1119 64 1604.70183 -304.4112774 -304.3503299 0.0009523042519 0.1396309788 0.02419966905 0.007443317694
|
|
1120 64 1604.70183 -304.4112756 -304.3503274 0.0009523150934 0.1397753296 0.02469985988 0.007442942105
|
|
1121 64 1604.70183 -304.3260453 -304.3327701 0.0001050764912 0.5024443778 0.4354527263 0.0152348235
|
|
1122 64 1604.70183 -304.3373253 -304.3397328 3.761684625e-05 0.4986590783 0.4426639499 0.01638664931
|
|
1123 64 1604.70183 -304.3495569 -304.3467402 4.401249387e-05 0.4122905493 0.2665571133 0.01298927022
|
|
1124 64 1604.70183 -304.3585043 -304.3468491 0.0001821128841 0.3675884873 0.284577944 0.01318421389
|
|
1125 64 1604.70183 -304.3665897 -304.3493543 0.0002693023183 0.3048402431 0.1894246511 0.01188934259
|
|
1126 64 1604.70183 -304.3727495 -304.3482961 0.0003820851455 0.279276131 0.2496174364 0.01238820062
|
|
1127 64 1604.70183 -304.3741956 -304.2953059 0.001232651032 0.7003222271 1.159131838 0.02992718099
|
|
1128 64 1604.70183 -304.4004855 -304.3391168 0.0009588871425 0.3664208351 0.4811979703 0.01305389614
|
|
1129 64 1604.70183 -304.4067408 -304.346488 0.0009414504008 0.2605266027 0.2926965945 0.009242445258
|
|
1130 64 1604.70183 -304.4096809 -304.3494364 0.0009413199488 0.1888336436 0.1251155094 0.006745464517
|
|
1131 64 1604.70183 -304.4107346 -304.3497882 0.0009522874742 0.1633623575 0.1004341895 0.0075782181
|
|
1132 64 1604.70183 -304.4113387 -304.3501299 0.0009563879644 0.1443307987 0.04727131497 0.007499507401
|
|
1133 64 1604.70183 -304.4116073 -304.3501685 0.0009599804796 0.1358264401 0.04241239203 0.007601713694
|
|
1134 64 1604.70183 -304.4116752 -304.3502635 0.0009595572065 0.1333654932 0.02432923322 0.007542832823
|
|
1135 64 1604.70183 -304.4117149 -304.3503013 0.000959587776 0.1318822112 0.02105703398 0.007608722098
|
|
# s_aP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1136 64 1604.70183 -309.5939689 -309.5645615 0.0004594904367 1.042473629 1.174034422 0.0423082882
|
|
1137 64 1604.70183 -309.6874561 -309.6192877 0.001065132154 0.7106242724 0.2107551128 0.02879623985
|
|
1138 64 1604.70183 -309.7092914 -309.6178884 0.0014281718 0.8449988237 0.3533983686 0.0292290749
|
|
1139 64 1604.70183 -309.7578248 -309.6208873 0.00213964818 1.09947422 0.8490534251 0.03107236882
|
|
1140 64 1604.70183 -309.8528493 -309.7123879 0.002194708792 1.372799186 1.843144508 0.03966184761
|
|
1141 64 1604.70183 -309.7939114 -309.7689498 0.0003900241713 1.650032012 2.44211318 0.0716667932
|
|
1142 64 1604.70183 -309.8870562 -309.8072173 0.001247482744 1.410939728 2.164385201 0.05176961502
|
|
1143 64 1604.70183 -309.8611093 -309.8197081 0.0006468937476 1.487048003 2.255019865 0.06269227362
|
|
1144 64 1604.70183 -309.88114 -309.8236384 0.0008984617601 1.435107123 2.203594228 0.0569194139
|
|
1145 64 1604.70183 -309.8809886 -309.8238835 0.0008922674034 1.435356503 2.20362982 0.05701138485
|
|
1146 64 1604.70183 -309.880507 -309.8245826 0.0008738188423 1.436246147 2.203531171 0.05726779563
|
|
1147 64 1604.70183 -309.6268567 -309.6085506 0.0002860330157 0.7444589747 0.5078419856 0.02941974642
|
|
1148 64 1604.70183 -309.8794966 -309.8258097 0.0008388583275 1.437988743 2.20380512 0.05779054084
|
|
1149 64 1604.70183 -309.8769334 -309.8275635 0.0007714050771 1.442691369 2.20431713 0.05881174674
|
|
1150 64 1604.70183 -309.8698649 -309.828368 0.0006483894319 1.456649702 2.20988047 0.06076779839
|
|
1151 64 1604.70183 -309.8745692 -309.8282987 0.0007229767694 1.4472282 2.205565897 0.05955984471
|
|
1152 64 1604.70183 -309.8751535 -309.8292816 0.0007167485257 1.44447812 2.200711234 0.05942671548
|
|
1153 64 1604.70183 -309.8768973 -309.8322164 0.0006981391424 1.436273595 2.185999735 0.05904262805
|
|
1154 64 1604.70183 -309.8803916 -309.8380237 0.000661998079 1.419655593 2.156043025 0.05824671627
|
|
1155 64 1604.70183 -309.8872098 -309.8493878 0.0005909681959 1.386810223 2.094604659 0.05657552994
|
|
1156 64 1604.70183 -309.9002585 -309.8711276 0.0004551713438 1.322179959 1.974304378 0.05339895955
|
|
1157 64 1604.70183 -309.9240812 -309.9105879 0.0002108324853 1.19776992 1.739494388 0.0470955878
|
|
1158 64 1604.70183 -309.6353 -309.6153095 0.0003123513142 0.6515366589 0.3247832504 0.02565465289
|
|
1159 64 1604.70183 -309.9624258 -309.9735887 0.0001744203003 0.9780033708 1.308701431 0.03738715476
|
|
1160 64 1604.70183 -310.001705 -310.0361345 0.000537960819 0.7796216653 0.8981766384 0.02552317636
|
|
1161 64 1604.70183 -310.0036471 -310.0386054 0.0005462232219 0.8044202531 0.9679520871 0.02733688373
|
|
1162 64 1604.70183 -310.0147061 -310.0539583 0.0006133152802 0.7631770866 0.8749575048 0.02497767805
|
|
1163 64 1604.70183 -310.0419554 -310.0904039 0.0007570082689 0.6658630379 0.6430068668 0.02186975313
|
|
1164 64 1604.70183 -310.0696763 -310.1198924 0.0007846273051 0.6426429483 0.6616123356 0.02409477903
|
|
1165 64 1604.70183 -310.0858976 -310.1379828 0.0008138308874 0.5636670099 0.4935629591 0.01951879407
|
|
1166 64 1604.70183 -310.1078836 -310.1566017 0.0007612203738 0.5159437685 0.5032513707 0.01820602054
|
|
1167 64 1604.70183 -310.1216306 -310.1695802 0.000749213184 0.4259280461 0.2617804208 0.01498349913
|
|
1168 64 1604.70183 -310.1262913 -310.1723392 0.0007194990682 0.4321037048 0.2705581096 0.01582319677
|
|
1169 64 1604.70183 -309.641999 -309.6183459 0.0003695791218 0.6050483579 0.2305600362 0.02533894861
|
|
1170 64 1604.70183 -310.1329673 -310.1769834 0.0006877527345 0.3577158479 0.170313541 0.0143476669
|
|
1171 64 1604.70183 -310.1376078 -310.1787788 0.0006432963082 0.3071356925 0.1972305034 0.01459569127
|
|
1172 64 1604.70183 -310.1416752 -310.1815303 0.000622736522 0.2470983872 0.1251851177 0.01245331601
|
|
1173 64 1604.70183 -310.1432968 -310.1820678 0.0006057979157 0.2306695458 0.1585959534 0.01225923053
|
|
1174 64 1604.70183 -310.1456296 -310.1841624 0.0006020757731 0.2036094642 0.09967902361 0.01131605281
|
|
1175 64 1604.70183 -310.1465878 -310.1846642 0.0005949449286 0.1976101792 0.1273746281 0.01174769336
|
|
1176 64 1604.70183 -310.1471716 -310.1859281 0.0006055717069 0.2128638665 0.07082877443 0.01086201723
|
|
1177 64 1604.70183 -310.1471246 -310.1859591 0.0006067884969 0.2189389536 0.08070849483 0.01074934643
|
|
1178 64 1604.70183 -310.1476402 -310.1863376 0.0006046456272 0.2121418657 0.04493171576 0.0114572539
|
|
1179 64 1604.70183 -310.1476036 -310.1863486 0.0006053910595 0.2119870839 0.03516103194 0.01128061835
|
|
1180 64 1604.70183 -309.6512847 -309.6188774 0.0005063635743 0.5584963148 0.2627178404 0.02741173692
|
|
1181 64 1604.70183 -310.1478239 -310.1864675 0.0006038071493 0.2083686877 0.025736163 0.01110285368
|
|
1182 64 1604.70183 -310.1479674 -310.1865067 0.0006021767729 0.2066273048 0.0378189683 0.01100708723
|
|
1183 64 1604.70183 -310.1481885 -310.1865935 0.0006000772417 0.2013310138 0.02376550031 0.01102732349
|
|
1184 64 1604.70183 -310.1484014 -310.1866387 0.0005974579093 0.1965206379 0.02528965919 0.01112154369
|
|
1185 64 1604.70183 -310.1485283 -310.1866817 0.0005961479389 0.1944824249 0.01685182506 0.01104145246
|
|
1186 64 1604.70183 -310.1486145 -310.1866935 0.0005949849098 0.1933498568 0.02352505679 0.01109051249
|
|
1187 64 1604.70183 -309.6583687 -309.6208955 0.0005855181518 0.5397345544 0.1627840742 0.0263766182
|
|
1188 64 1604.70183 -309.665461 -309.6203363 0.0007050734359 0.5676268214 0.1825192619 0.02582677042
|
|
1189 64 1604.70183 -309.6719199 -309.620892 0.0007973120058 0.600249898 0.1336064543 0.02606835924
|
|
1190 64 1604.70183 -309.6806047 -309.6193699 0.0009567938142 0.668924646 0.2090184596 0.02873610053
|
|
1191 64 1604.70183 -309.5605332 -310.0309165 0.007349738015 0.9968089712 0.8565470368 0.03475566132
|
|
1192 64 1604.70183 -309.6060218 -310.0664563 0.007194289355 0.6339096876 0.03680205134 0.0352298968
|
|
1193 64 1604.70183 -309.6068688 -310.0665204 0.007182056756 0.626463316 0.0486802411 0.03521247877
|
|
1194 64 1604.70183 -309.6066525 -310.0666919 0.007188115222 0.627318983 0.02927834268 0.0347335066
|
|
1195 64 1604.70183 -309.6064949 -310.066714 0.00719092366 0.6283188423 0.03451481121 0.03464053246
|
|
1196 64 1604.70183 -309.6058411 -310.066808 0.007202607851 0.6297454323 0.01985463832 0.03485265866
|
|
1197 64 1604.70183 -309.6055644 -310.0668162 0.00720706058 0.6304578352 0.02495493993 0.03494837831
|
|
1198 64 1604.70183 -309.6048459 -310.066846 0.007218752179 0.632403942 0.01344916451 0.0347606669
|
|
1199 64 1604.70183 -309.6048144 -310.0668458 0.00721924012 0.6324967217 0.01412536219 0.03473567325
|
|
1200 64 1604.70183 -309.584564 -310.0551585 0.007353039606 0.7808884414 0.357326643 0.03573913608
|
|
1201 64 1604.70183 -309.5927683 -310.0589913 0.007284733414 0.6954685138 0.2588645421 0.03837009541
|
|
1202 64 1604.70183 -309.5954127 -310.0618428 0.007287970438 0.6766308636 0.1650632833 0.03708476344
|
|
1203 64 1604.70183 -309.5977454 -310.0632792 0.007273965626 0.6640478654 0.1621634578 0.03569638026
|
|
1204 64 1604.70183 -309.5997366 -310.0647059 0.007265145878 0.6591298982 0.1048719784 0.03582853501
|
|
1205 64 1604.70183 -309.6020137 -310.0654337 0.007240937093 0.6580124867 0.11110601 0.03612380008
|
|
1206 64 1604.70183 -309.6041855 -310.0661409 0.007218052914 0.6471776754 0.0545589596 0.03548033671
|
|
1207 64 1604.70183 -309.604879 -310.066204 0.007208202864 0.6443969767 0.05988659423 0.03526923837
|
|
# s_aa.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1208 64 1604.70183 -306.7940335 -306.8765446 0.001289235701 1.436164002 1.550741673 0.03721963214
|
|
1209 64 1604.70183 -306.8894608 -306.9635484 0.001157618808 0.6511090306 0.08313926166 0.0378965797
|
|
1210 64 1604.70183 -306.8878253 -306.9641139 0.001192008889 0.66123524 0.04751845787 0.03761946759
|
|
1211 64 1604.70183 -306.886731 -306.9642579 0.00121135815 0.6683145743 0.05885677407 0.03743150591
|
|
1212 64 1604.70183 -306.8860427 -306.9645616 0.001226858211 0.6673999208 0.03569772073 0.03741220646
|
|
1213 64 1604.70183 -306.8855934 -306.9646359 0.001235038901 0.6673046679 0.04336334878 0.03745656827
|
|
1214 64 1604.70183 -306.8855103 -306.9647287 0.001237786422 0.6642990478 0.02612272166 0.03766276532
|
|
1215 64 1604.70183 -306.8854656 -306.9647237 0.001238408412 0.6636526089 0.03123046945 0.03772681043
|
|
1216 64 1604.70183 -306.8853289 -306.9647937 0.001241637613 0.6625514237 0.01837334842 0.03767702402
|
|
1217 64 1604.70183 -306.8852462 -306.9647952 0.00124295196 0.6622043602 0.02338071211 0.03765046774
|
|
1218 64 1604.70183 -306.8636478 -306.9489638 0.001333062663 0.858673314 0.4964505719 0.03180877204
|
|
1219 64 1604.70183 -306.8773749 -306.95465 0.001207424861 0.7196536467 0.3360787319 0.03519228092
|
|
1220 64 1604.70183 -306.883256 -306.9587198 0.001179121972 0.6761350656 0.1913594238 0.03562738463
|
|
1221 64 1604.70183 -306.8873328 -306.9598374 0.001132885177 0.6517047056 0.1824304626 0.03608290839
|
|
1222 64 1604.70183 -306.8894 -306.9613685 0.001124508142 0.6405294295 0.1314812763 0.0370611491
|
|
1223 64 1604.70183 -306.8926709 -306.9618848 0.001081467082 0.6283577276 0.191630116 0.04003386117
|
|
1224 64 1604.70183 -306.8920305 -306.9622122 0.001096588087 0.6294949169 0.1490140669 0.03915905711
|
|
1225 64 1604.70183 -306.8906004 -306.9634019 0.001137524229 0.6415705236 0.07684625941 0.0383253601
|
|
# s_iIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1226 65 1604.70183 -308.3245203 -307.9990581 0.005007110346 2.779207509 3.441754242 0.0564744198
|
|
1227 65 1604.70183 -308.6062748 -308.4144059 0.002951829204 0.457855745 0.08997623964 0.02420958679
|
|
1228 65 1604.70183 -308.6055633 -308.4146382 0.002937308295 0.4584127959 0.1092471882 0.02490062444
|
|
1229 65 1604.70183 -308.6045565 -308.4154013 0.002910080624 0.469387204 0.06911367211 0.02432308754
|
|
1230 65 1604.70183 -308.6034953 -308.415618 0.002890421121 0.4809249109 0.08345509896 0.02444513516
|
|
1231 65 1604.70183 -308.603785 -308.4161263 0.002887055579 0.4697212502 0.05432206118 0.0242028204
|
|
1232 65 1604.70183 -308.6038277 -308.4162335 0.002886064835 0.4650710589 0.06705929869 0.02438651462
|
|
1233 65 1604.70183 -308.6042518 -308.4165185 0.002888205099 0.4667108606 0.04128920457 0.02409383148
|
|
1234 65 1604.70183 -308.6042721 -308.41652 0.002888494529 0.4670335288 0.04492898089 0.02411761006
|
|
1235 65 1604.70183 -308.6049218 -308.4167061 0.002895625555 0.4573182868 0.03427145373 0.02422216515
|
|
1236 65 1604.70183 -308.6051209 -308.4167327 0.002898279151 0.4543962278 0.04208936552 0.02430834637
|
|
1237 65 1604.70183 -308.5537235 -308.3156704 0.00366235587 0.8384169944 1.095651338 0.03227322732
|
|
1238 65 1604.70183 -308.6054289 -308.4169299 0.002899985664 0.4563630788 0.03151013935 0.02443958845
|
|
1239 65 1604.70183 -308.6054963 -308.416954 0.00290064951 0.4570773908 0.03865944535 0.02451012875
|
|
1240 65 1604.70183 -308.6057803 -308.4170952 0.002902847629 0.4534348692 0.0222460715 0.02449917538
|
|
1241 65 1604.70183 -308.605875 -308.4171212 0.00290390467 0.4522491493 0.02719889895 0.02456231937
|
|
1242 65 1604.70183 -308.6059838 -308.4171286 0.002905465536 0.4520555207 0.0194709944 0.02444862051
|
|
1243 65 1604.70183 -308.6059747 -308.4171356 0.002905217643 0.4519538928 0.01523572781 0.02442693124
|
|
1244 65 1604.70183 -308.5582251 -308.3230075 0.003618732426 0.8840447315 1.126599892 0.03316384713
|
|
1245 65 1604.70183 -308.5889228 -308.3701717 0.00336540142 0.5738535621 0.648593671 0.02613956786
|
|
1246 65 1604.70183 -308.5962389 -308.3853208 0.003244894233 0.5938114735 0.6385477863 0.02559676451
|
|
1247 65 1604.70183 -308.6060656 -308.4029863 0.003124296467 0.4578598962 0.3442512187 0.02364129662
|
|
1248 65 1604.70183 -308.6077772 -308.4075278 0.003080759093 0.4339083692 0.3449502837 0.02523811273
|
|
1249 65 1604.70183 -308.6077638 -308.4127166 0.003000725427 0.4401967785 0.1481680844 0.02406415903
|
|
1250 65 1604.70183 -308.6067069 -308.4130973 0.002978609189 0.4652027629 0.1597902756 0.02438311415
|
|
1251 65 1604.70183 -308.5129577 -308.6167958 0.001597508683 1.885028683 2.852768231 0.05973414476
|
|
1252 65 1604.70183 -308.6893746 -308.9170738 0.003503065627 0.6150773035 0.1352086416 0.03081930354
|
|
1253 65 1604.70183 -308.6888515 -308.9177141 0.003520962332 0.6140231627 0.1628826239 0.03139011134
|
|
1254 65 1604.70183 -308.6881118 -308.9193611 0.003557681627 0.6232722378 0.08820903018 0.03105880339
|
|
1255 65 1604.70183 -308.687318 -308.9195378 0.003572612163 0.6323926947 0.107968378 0.03120073197
|
|
1256 65 1604.70183 -308.6875218 -308.920185 0.003579434533 0.6228422971 0.06171824913 0.03056262325
|
|
1257 65 1604.70183 -308.6875122 -308.9201947 0.003579731623 0.6222378455 0.06652360994 0.03057236783
|
|
1258 65 1604.70183 -308.6874808 -308.9204921 0.003584789696 0.6255975301 0.03993431489 0.0304208578
|
|
1259 65 1604.70183 -308.6874205 -308.920519 0.003586129585 0.6272723564 0.04802080375 0.03043819431
|
|
1260 65 1604.70183 -308.6876316 -308.9206738 0.003585264581 0.6207107422 0.03157448802 0.03063765139
|
|
1261 65 1604.70183 -308.6876555 -308.9206785 0.0035849703 0.6196134724 0.03684938922 0.03068813947
|
|
1262 65 1604.70183 -308.6613412 -308.8525904 0.002942295684 0.753019333 0.8898080397 0.03304441794
|
|
1263 65 1604.70183 -308.6872075 -308.9207652 0.00359319405 0.6270165756 0.0258968568 0.03065823685
|
|
1264 65 1604.70183 -308.6870273 -308.920767 0.003595995703 0.6298246241 0.03383547696 0.03064320358
|
|
1265 65 1604.70183 -308.6873449 -308.920822 0.003591956249 0.6257078051 0.0173254023 0.03056928675
|
|
1266 65 1604.70183 -308.687371 -308.9208223 0.003591557128 0.6253669473 0.0181348984 0.03056299432
|
|
1267 65 1604.70183 -308.6713046 -308.8649401 0.002979007234 0.6908727699 0.8198898761 0.0353476545
|
|
1268 65 1604.70183 -308.6834023 -308.8899041 0.003176950699 0.6056515474 0.4426657752 0.03163112521
|
|
1269 65 1604.70183 -308.6878379 -308.8965266 0.003210594825 0.5986428783 0.4287734665 0.03389193379
|
|
1270 65 1604.70183 -308.6905338 -308.9050188 0.003299769299 0.5862632802 0.2665119179 0.03185525674
|
|
1271 65 1604.70183 -308.6899586 -308.9083473 0.003359826291 0.6062915966 0.3056093386 0.03082923218
|
|
1272 65 1604.70183 -308.6904542 -308.9130965 0.00342526582 0.604655112 0.1844420899 0.03031441308
|
|
1273 65 1604.70183 -308.6890976 -308.9140188 0.003460325371 0.6255489879 0.2282513436 0.03063179931
|
|
1274 65 1604.70183 -309.4256164 -309.3691182 0.0008692032123 1.437815742 2.020276788 0.05677004035
|
|
1275 65 1604.70183 -309.5400936 -309.5146967 0.0003907220605 0.7318510125 0.06118717011 0.03718261807
|
|
1276 65 1604.70183 -309.5407806 -309.5148047 0.0003996290857 0.7281903112 0.07058777014 0.03729632267
|
|
1277 65 1604.70183 -309.5413233 -309.5151345 0.0004029047033 0.7280085189 0.04201719477 0.03712967395
|
|
1278 65 1604.70183 -309.5415922 -309.5152025 0.000405995123 0.72878388 0.0580625214 0.03702158117
|
|
1279 65 1604.70183 -309.5419329 -309.5154343 0.0004076704851 0.7257746874 0.03531064522 0.03707790196
|
|
1280 65 1604.70183 -309.5420531 -309.5154715 0.0004089473989 0.7245225873 0.04223218265 0.03707983087
|
|
1281 65 1604.70183 -309.5416639 -309.5156045 0.0004009146676 0.7289971141 0.02606522271 0.03687960858
|
|
1282 65 1604.70183 -309.5414901 -309.5156119 0.0003981269938 0.730919745 0.03465477955 0.03685578426
|
|
1283 65 1604.70183 -309.5415337 -309.5156876 0.0003976323933 0.7282404683 0.02432195266 0.0368729797
|
|
1284 65 1604.70183 -309.5415308 -309.5156871 0.0003975948276 0.7283441837 0.02398627549 0.03687112159
|
|
1285 65 1604.70183 -309.5013732 -309.4863816 0.0002306403903 0.9023517851 0.6088466764 0.0375905383
|
|
1286 65 1604.70183 -309.5085655 -309.4925326 0.0002466612286 0.870538061 0.5367648908 0.03867197121
|
|
1287 65 1604.70183 -309.5201297 -309.503522 0.0002555029518 0.8047125465 0.3010106009 0.03775365357
|
|
1288 65 1604.70183 -309.5266437 -309.5069551 0.0003029018144 0.7813124806 0.2862146586 0.03872670315
|
|
1289 65 1604.70183 -309.5319958 -309.5108334 0.0003255760955 0.7528696384 0.1736893616 0.03803420494
|
|
1290 65 1604.70183 -309.5363465 -309.5124736 0.0003672755085 0.7345411083 0.1747690184 0.03758478287
|
|
1291 65 1604.70183 -309.5380801 -309.513947 0.0003712788018 0.7379119371 0.09145900731 0.03706282061
|
|
1292 65 1604.70183 -309.5384423 -309.5140637 0.0003750551542 0.7415166329 0.1055625178 0.03696228559
|
|
1293 65 1604.70183 -309.193915 -308.9876108 0.003173912094 2.370166986 3.369528918 0.07569046838
|
|
1294 65 1604.70183 -309.4345423 -309.3185853 0.001783953729 0.7599020621 0.1300677154 0.0395726298
|
|
1295 65 1604.70183 -309.4353462 -309.318886 0.001791695891 0.7526870383 0.1593159524 0.03983935117
|
|
1296 65 1604.70183 -309.4340273 -309.3207419 0.001742852149 0.7619715056 0.1009829002 0.03942935474
|
|
1297 65 1604.70183 -309.432815 -309.321086 0.001718907324 0.7703893488 0.1287832777 0.0394546075
|
|
1298 65 1604.70183 -309.4308775 -309.3223733 0.001669295024 0.7665499825 0.07485259621 0.03932599867
|
|
1299 65 1604.70183 -309.4301585 -309.322468 0.001656777144 0.7672161201 0.08949052748 0.03934685031
|
|
1300 65 1604.70183 -309.4277057 -309.3230186 0.001610571586 0.7787234734 0.05851577257 0.03953140159
|
|
1301 65 1604.70183 -309.4269995 -309.3230433 0.00159932648 0.7824048147 0.06872746543 0.03958898046
|
|
1302 65 1604.70183 -309.4258254 -309.3233695 0.00157624458 0.7879347553 0.03873356362 0.03966151408
|
|
1303 65 1604.70183 -309.4256782 -309.3233729 0.001573928567 0.7887270184 0.04249452865 0.03970657587
|
|
1304 65 1604.70183 -309.3897656 -309.2696756 0.001847537742 0.9322336332 0.6965971345 0.04085163841
|
|
1305 65 1604.70183 -309.4255348 -309.3234569 0.001570428096 0.7917722431 0.02794548003 0.03972938174
|
|
1306 65 1604.70183 -309.4255272 -309.3234554 0.001570334512 0.7918722619 0.02854991492 0.03973466958
|
|
1307 65 1604.70183 -309.4260075 -309.3235117 0.001576858707 0.7881577183 0.01648901944 0.0398337122
|
|
1308 65 1604.70183 -309.426038 -309.3235109 0.001577339816 0.7879297522 0.01772431779 0.03984717757
|
|
1309 65 1604.70183 -309.3938797 -309.2717447 0.001878999389 0.9028153433 0.6965989888 0.04165985085
|
|
1310 65 1604.70183 -309.4080111 -309.2899774 0.001815902194 0.8260915811 0.4077923177 0.03949806363
|
|
1311 65 1604.70183 -309.4156759 -309.2966514 0.0018311466 0.8026043572 0.392635015 0.04046148143
|
|
1312 65 1604.70183 -309.4217171 -309.304246 0.001807248046 0.7817472516 0.2714570542 0.03985547558
|
|
1313 65 1604.70183 -309.4268514 -309.3094173 0.00180667763 0.7829475422 0.3024801867 0.04026972581
|
|
1314 65 1604.70183 -309.4304914 -309.314558 0.001783590063 0.7754466101 0.1807447293 0.03945134852
|
|
1315 65 1604.70183 -309.4312994 -309.3156286 0.001779550899 0.7875003302 0.219559556 0.03915372962
|
|
1316 65 1604.70183 -309.193915 -308.9876108 0.003173912094 2.370166986 3.369528918 0.07569046838
|
|
1317 65 1604.70183 -309.4345423 -309.3185853 0.001783953729 0.7599020621 0.1300677154 0.0395726298
|
|
1318 65 1604.70183 -309.4353462 -309.318886 0.001791695891 0.7526870383 0.1593159524 0.03983935117
|
|
1319 65 1604.70183 -309.4340273 -309.3207419 0.001742852149 0.7619715056 0.1009829002 0.03942935474
|
|
1320 65 1604.70183 -309.432815 -309.321086 0.001718907324 0.7703893488 0.1287832777 0.0394546075
|
|
1321 65 1604.70183 -309.4308775 -309.3223733 0.001669295024 0.7665499825 0.07485259621 0.03932599867
|
|
1322 65 1604.70183 -309.4301585 -309.322468 0.001656777144 0.7672161201 0.08949052748 0.03934685031
|
|
1323 65 1604.70183 -309.4277057 -309.3230186 0.001610571586 0.7787234734 0.05851577257 0.03953140159
|
|
1324 65 1604.70183 -309.4269995 -309.3230433 0.00159932648 0.7824048147 0.06872746543 0.03958898046
|
|
1325 65 1604.70183 -309.4258254 -309.3233695 0.00157624458 0.7879347553 0.03873356362 0.03966151408
|
|
1326 65 1604.70183 -309.4256782 -309.3233729 0.001573928567 0.7887270184 0.04249452865 0.03970657587
|
|
1327 65 1604.70183 -309.3897656 -309.2696756 0.001847537742 0.9322336332 0.6965971345 0.04085163841
|
|
1328 65 1604.70183 -309.4255348 -309.3234569 0.001570428096 0.7917722431 0.02794548003 0.03972938174
|
|
1329 65 1604.70183 -309.4255272 -309.3234554 0.001570334512 0.7918722619 0.02854991492 0.03973466958
|
|
1330 65 1604.70183 -309.4260075 -309.3235117 0.001576858707 0.7881577183 0.01648901944 0.0398337122
|
|
1331 65 1604.70183 -309.426038 -309.3235109 0.001577339816 0.7879297522 0.01772431779 0.03984717757
|
|
1332 65 1604.70183 -309.3938797 -309.2717447 0.001878999389 0.9028153433 0.6965989888 0.04165985085
|
|
1333 65 1604.70183 -309.4080111 -309.2899774 0.001815902194 0.8260915811 0.4077923177 0.03949806363
|
|
1334 65 1604.70183 -309.4156759 -309.2966514 0.0018311466 0.8026043572 0.392635015 0.04046148143
|
|
1335 65 1604.70183 -309.4217171 -309.304246 0.001807248046 0.7817472516 0.2714570542 0.03985547558
|
|
1336 65 1604.70183 -309.4268514 -309.3094173 0.00180667763 0.7829475422 0.3024801867 0.04026972581
|
|
1337 65 1604.70183 -309.4304914 -309.314558 0.001783590063 0.7754466101 0.1807447293 0.03945134852
|
|
1338 65 1604.70183 -309.4312994 -309.3156286 0.001779550899 0.7875003302 0.219559556 0.03915372962
|
|
1339 65 1604.70183 -308.9162309 -308.9630782 0.0007207274683 2.066277492 2.800626938 0.06114266406
|
|
1340 65 1604.70183 -309.1039277 -309.2065215 0.001578366484 0.6544581748 0.138418872 0.03224620578
|
|
1341 65 1604.70183 -309.1079855 -309.2079046 0.001537216969 0.6391784711 0.1695431883 0.03207823342
|
|
1342 65 1604.70183 -309.1115493 -309.209983 0.001514363992 0.635000055 0.1308716977 0.03234218525
|
|
1343 65 1604.70183 -309.11195 -309.2100901 0.001509847227 0.6360980694 0.1474462682 0.03249179813
|
|
1344 65 1604.70183 -309.1144527 -309.2120228 0.001501079953 0.6345184352 0.1313400831 0.03166474269
|
|
1345 65 1604.70183 -309.1146806 -309.2121515 0.001499553506 0.6364927018 0.1467476357 0.03160684471
|
|
1346 65 1604.70183 -309.1172752 -309.2140983 0.001489585422 0.6293465976 0.09611299438 0.03197835899
|
|
1347 65 1604.70183 -309.1187122 -309.2149834 0.001481094899 0.6293124814 0.1160960545 0.03243180431
|
|
1348 65 1604.70183 -309.1205584 -309.2164585 0.001475386297 0.6296078699 0.07866559763 0.03183650212
|
|
1349 65 1604.70183 -309.1223379 -309.2175399 0.001464645658 0.6424836707 0.1578762878 0.031665919
|
|
1350 65 1604.70183 -309.0592267 -309.1662917 0.001647153397 0.8577828883 0.7475202955 0.03572659541
|
|
1351 65 1604.70183 -309.1247691 -309.2177195 0.001430006789 0.624895562 0.1872886534 0.03408935424
|
|
1352 65 1604.70183 -309.124036 -309.218303 0.001450261865 0.626153986 0.07405831134 0.03255366139
|
|
1353 65 1604.70183 -309.1246069 -309.2185313 0.001444991184 0.6285176928 0.0851505638 0.03258250186
|
|
1354 65 1604.70183 -309.1245369 -309.2185433 0.001446252481 0.6270333985 0.06798810227 0.03257095601
|
|
1355 65 1604.70183 -309.1252469 -309.2188022 0.0014393121 0.6279676687 0.04126023346 0.03259779399
|
|
1356 65 1604.70183 -309.1256323 -309.218868 0.001434395781 0.6289867216 0.04668529029 0.03267191865
|
|
1357 65 1604.70183 -309.1261228 -309.2190464 0.001429594171 0.6257533094 0.02864289769 0.03273210687
|
|
1358 65 1604.70183 -309.1265001 -309.2191158 0.00142485714 0.6235016483 0.04103123196 0.03281188682
|
|
1359 65 1604.70183 -309.126729 -309.2193034 0.001424221593 0.6255198203 0.03118479854 0.0327848248
|
|
1360 65 1604.70183 -309.1269816 -309.2194759 0.00142298836 0.6289530433 0.04280295274 0.0328756331
|
|
1361 65 1604.70183 -309.0630197 -309.1692546 0.001634383103 0.8580276183 0.7633188526 0.03723203798
|
|
1362 65 1604.70183 -309.1273706 -309.2196605 0.001419844477 0.6284761031 0.02997866313 0.03295726008
|
|
1363 65 1604.70183 -309.1275805 -309.2197312 0.001417703314 0.6285527044 0.03975648274 0.03305442701
|
|
1364 65 1604.70183 -309.0779533 -309.187105 0.001679256836 0.7228233403 0.3835624808 0.03468202789
|
|
1365 65 1604.70183 -309.080487 -309.1882585 0.001658023507 0.7169742776 0.4423665736 0.0356260294
|
|
1366 65 1604.70183 -309.0862228 -309.1955048 0.001681261735 0.712998292 0.2406913048 0.03384944116
|
|
1367 65 1604.70183 -309.08758 -309.1967467 0.001679488205 0.7419764145 0.2826530301 0.03384988724
|
|
1368 65 1604.70183 -309.093098 -309.2007993 0.00165694379 0.7039792758 0.1910941657 0.03317801903
|
|
1369 65 1604.70183 -309.0987388 -309.2034724 0.00161128727 0.680040898 0.2151638473 0.03300237588
|
|
# s_iP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1370 65 1604.70183 -312.294816 -312.1064156 0.002898467488 1.069066861 1.657687119 0.04361178404
|
|
1371 65 1604.70183 -312.3625834 -312.2174988 0.002232070281 0.4605113923 0.0826119634 0.02247609873
|
|
1372 65 1604.70183 -312.3627564 -312.2176788 0.002231963802 0.4598337205 0.09577527079 0.02260501476
|
|
1373 65 1604.70183 -312.3629301 -312.2184497 0.002222775551 0.4646090366 0.06132694502 0.02203608534
|
|
1374 65 1604.70183 -312.362726 -312.2187629 0.002214817303 0.4759024039 0.1096795721 0.02182101175
|
|
1375 65 1604.70183 -312.3635528 -312.2191496 0.002221588372 0.4601054657 0.08667491656 0.02283770646
|
|
1376 65 1604.70183 -312.3634044 -312.2192308 0.002218056423 0.4630115748 0.04768612191 0.02235717884
|
|
1377 65 1604.70183 -312.3634556 -312.219395 0.002216317397 0.4652659307 0.03276624032 0.02215870314
|
|
1378 65 1604.70183 -312.363417 -312.2194334 0.002215132712 0.4683871032 0.04507641972 0.02200336349
|
|
1379 65 1604.70183 -312.3636793 -312.2196116 0.00221642638 0.4670979717 0.03047486901 0.02218357253
|
|
1380 65 1604.70183 -312.3638725 -312.2197113 0.002217865176 0.46678415 0.03907189658 0.02240614205
|
|
1381 65 1604.70183 -312.3441859 -312.1896011 0.00237822785 0.5837662134 0.5552583025 0.02523073988
|
|
1382 65 1604.70183 -312.3641465 -312.2198852 0.002219404982 0.4660891497 0.02976997141 0.02244979126
|
|
1383 65 1604.70183 -312.364281 -312.2199516 0.002220451986 0.4663977601 0.03952582496 0.02247918113
|
|
1384 65 1604.70183 -312.3643786 -312.2201631 0.002218699538 0.469485468 0.02648351986 0.02248872808
|
|
1385 65 1604.70183 -312.3643987 -312.2202301 0.002217979255 0.4723245952 0.03554112535 0.022519955
|
|
1386 65 1604.70183 -312.3645395 -312.220395 0.002217606969 0.4725800672 0.02638162014 0.02257273332
|
|
1387 65 1604.70183 -312.3646021 -312.2204531 0.00221767758 0.4736421242 0.03851421937 0.02263564385
|
|
1388 65 1604.70183 -312.3647089 -312.2205957 0.002217125184 0.4752751112 0.04015446359 0.0227686653
|
|
1389 65 1604.70183 -312.3649809 -312.2210001 0.002215089591 0.4819712479 0.06125012442 0.02321693121
|
|
1390 65 1604.70183 -312.365309 -312.2216823 0.002209641889 0.5018516707 0.127738152 0.02426163715
|
|
1391 65 1604.70183 -312.3648627 -312.2225228 0.002189845233 0.5631458274 0.2753225514 0.02662812302
|
|
1392 65 1604.70183 -312.349001 -312.1960763 0.002352687533 0.5453695918 0.4721624472 0.02319898794
|
|
1393 65 1604.70183 -312.3575804 -312.2218095 0.002088783302 0.7393977285 0.5851750769 0.03230235466
|
|
1394 65 1604.70183 -312.3614178 -312.2224637 0.002137754464 0.6693425208 0.4696368815 0.03016339213
|
|
1395 65 1604.70183 -312.3556471 -312.205204 0.002314510427 0.484964551 0.2948484111 0.0224906001
|
|
1396 65 1604.70183 -312.3597868 -312.2097333 0.002308515559 0.4612174098 0.2698684355 0.02471109823
|
|
1397 65 1604.70183 -312.3611081 -312.2134778 0.002271236564 0.4531544107 0.1535766773 0.02347767272
|
|
1398 65 1604.70183 -312.3607648 -312.2147912 0.002245747506 0.4750010072 0.1627557782 0.02266643323
|
|
1399 65 1604.70183 -312.3615355 -312.2161771 0.002236283207 0.4707557985 0.1038810932 0.02256334267
|
|
1400 65 1604.70183 -312.361527 -312.2162846 0.002234497968 0.4790703656 0.1306384371 0.02255172547
|
|
1401 65 1604.70183 -312.1304288 -312.0094186 0.001861696922 1.824520377 2.761689725 0.0447577635
|
|
1402 65 1604.70183 -312.3007011 -312.2917783 0.0001372746496 0.3157038148 0.1088094589 0.01775325862
|
|
1403 65 1604.70183 -312.3002002 -312.2924141 0.0001197869048 0.3074116866 0.1058273719 0.01787400006
|
|
1404 65 1604.70183 -312.2994795 -312.293034 9.916086337e-05 0.3038005449 0.06008167285 0.01747255981
|
|
1405 65 1604.70183 -312.2988717 -312.2931628 8.782945558e-05 0.30644785 0.07186056592 0.0174296426
|
|
1406 65 1604.70183 -312.298058 -312.2934651 7.066126834e-05 0.3072788785 0.04874214637 0.01707756556
|
|
1407 65 1604.70183 -312.2976456 -312.2934936 6.387703341e-05 0.3102738074 0.06431543277 0.01702591735
|
|
1408 65 1604.70183 -312.2969886 -312.2936868 5.079672234e-05 0.3078423034 0.04786194818 0.01736955794
|
|
1409 65 1604.70183 -312.2967309 -312.2936992 4.664222813e-05 0.3086142282 0.05908802148 0.01747682094
|
|
1410 65 1604.70183 -312.2959104 -312.2938174 3.219960882e-05 0.3139566761 0.05733188331 0.016467119
|
|
1411 65 1604.70183 -312.2960615 -312.2938211 3.446785242e-05 0.3124936782 0.04690513771 0.01659561468
|
|
1412 65 1604.70183 -312.2689973 -312.2285727 0.000621916615 0.6049172608 0.8795445231 0.02359022394
|
|
1413 65 1604.70183 -312.2958452 -312.2939276 2.950040059e-05 0.3145020945 0.03497701698 0.01682430001
|
|
1414 65 1604.70183 -312.295775 -312.2939326 2.834386173e-05 0.3157193197 0.04254563899 0.01692328597
|
|
1415 65 1604.70183 -312.2957702 -312.2940641 2.624805794e-05 0.3158471989 0.04238810739 0.01695889828
|
|
1416 65 1604.70183 -312.2957891 -312.2943333 2.239789981e-05 0.3195279172 0.08542958409 0.01727573129
|
|
1417 65 1604.70183 -312.2962551 -312.2947244 2.354960549e-05 0.325996799 0.09482068225 0.01726611349
|
|
1418 65 1604.70183 -312.2962697 -312.2947245 2.377254132e-05 0.3265874325 0.0989506874 0.01727768296
|
|
1419 65 1604.70183 -312.2966468 -312.2950057 2.524694839e-05 0.3247739611 0.08581638057 0.01681963491
|
|
1420 65 1604.70183 -312.2975719 -312.295297 3.499818345e-05 0.3308345269 0.1731068406 0.01630057995
|
|
1421 65 1604.70183 -312.2978409 -312.29544 3.69371961e-05 0.331976553 0.1768624607 0.0163484175
|
|
1422 65 1604.70183 -312.2986981 -312.2958892 4.321371546e-05 0.3357430972 0.191888832 0.0165429902
|
|
1423 65 1604.70183 -312.2771952 -312.2399742 0.0005726308483 0.5551647245 0.8357718198 0.02524971216
|
|
1424 65 1604.70183 -312.3006023 -312.2968905 5.710488234e-05 0.3453622435 0.2241439295 0.01694939347
|
|
1425 65 1604.70183 -312.3050624 -312.2992858 8.887045147e-05 0.371711583 0.2940926924 0.01784895275
|
|
1426 65 1604.70183 -312.3157781 -312.3055753 0.0001569654985 0.4436937627 0.4447822223 0.02042245282
|
|
1427 65 1604.70183 -312.337829 -312.3229186 0.0002293904272 0.6572263121 0.761608579 0.02867129701
|
|
1428 65 1604.70183 -312.3434691 -312.3563291 0.0001978465252 1.259960831 1.493029397 0.04723881002
|
|
1429 65 1604.70183 -312.3432816 -312.3564962 0.0002033013476 1.263101521 1.495738598 0.047225999
|
|
1430 65 1604.70183 -312.3427113 -312.3569139 0.0002185022082 1.272371884 1.507655233 0.04746748947
|
|
1431 65 1604.70183 -312.3414639 -312.3577405 0.0002504087202 1.29098644 1.531639184 0.04794749438
|
|
1432 65 1604.70183 -312.2929609 -312.2666967 0.0004040647705 0.3579076112 0.4903169532 0.0200427783
|
|
1433 65 1604.70183 -312.2981125 -312.2755264 0.0003474778717 0.3314428839 0.5181548416 0.02191335903
|
|
1434 65 1604.70183 -312.2985336 -312.2847642 0.0002118371804 0.444419904 0.3854652273 0.01647663244
|
|
1435 65 1604.70183 -312.2980452 -312.2848573 0.0002028908633 0.4767951563 0.4245026405 0.01637573657
|
|
1436 65 1604.70183 -312.3005023 -312.2902378 0.0001579145384 0.3334248192 0.1891256354 0.01821055215
|
|
1437 65 1604.70183 -312.3005452 -312.2902483 0.0001584134697 0.3345218671 0.1787910358 0.01800387967
|
|
1438 65 1604.70183 -312.6990365 -312.7405613 0.0006388427242 1.239851851 1.937896006 0.0423766372
|
|
1439 65 1604.70183 -312.7913567 -312.870317 0.00121477395 0.4191998519 0.07278135669 0.01899280622
|
|
1440 65 1604.70183 -312.7915552 -312.8705004 0.001214542047 0.4216531294 0.08426801205 0.01902198597
|
|
1441 65 1604.70183 -312.7915084 -312.8709317 0.001221896193 0.4164423112 0.05060552547 0.01891298777
|
|
1442 65 1604.70183 -312.7912996 -312.8710638 0.001227141077 0.4146712076 0.06525547566 0.01905799612
|
|
1443 65 1604.70183 -312.7905928 -312.8713727 0.001242767937 0.4149505331 0.04126523561 0.01857495073
|
|
1444 65 1604.70183 -312.7900481 -312.8714565 0.001252437186 0.4161565831 0.04923255969 0.01842672254
|
|
1445 65 1604.70183 -312.7894551 -312.8716455 0.001264467269 0.4174676848 0.03252482529 0.01800985737
|
|
1446 65 1604.70183 -312.789138 -312.8716705 0.001269731277 0.4187090562 0.04455467087 0.01792164104
|
|
1447 65 1604.70183 -312.788677 -312.8717849 0.001278581863 0.4182640392 0.03204215839 0.0180942584
|
|
1448 65 1604.70183 -312.7885355 -312.8717902 0.001280842579 0.4186387918 0.03811008445 0.01819860848
|
|
1449 65 1604.70183 -312.7651385 -312.845919 0.001242776884 0.5785337165 0.5525076996 0.02182966219
|
|
1450 65 1604.70183 -312.7881232 -312.871858 0.001288227829 0.4182067136 0.03277788196 0.01818487041
|
|
1451 65 1604.70183 -312.7881091 -312.8718575 0.001288436535 0.418271825 0.03355283043 0.01817918275
|
|
1452 65 1604.70183 -312.7696748 -312.8501606 0.001238241947 0.5383112075 0.5057147985 0.0222394857
|
|
1453 65 1604.70183 -312.7780046 -312.8599995 0.001261460197 0.4772691666 0.3010213589 0.01895780395
|
|
1454 65 1604.70183 -312.7835257 -312.8637044 0.001233519392 0.4544929306 0.2919634715 0.02046729248
|
|
1455 65 1604.70183 -312.7870644 -312.8673608 0.001235329416 0.4344260518 0.1735004231 0.01896362011
|
|
1456 65 1604.70183 -312.7880974 -312.8679859 0.001229053421 0.4566073792 0.2172682873 0.01871407809
|
|
1457 65 1604.70183 -312.7908266 -312.8695929 0.001211789768 0.4204932046 0.1224136373 0.01931054111
|
|
1458 65 1604.70183 -312.7908 -312.8695934 0.001212206335 0.4206182642 0.1205737127 0.0192918716
|
|
1459 65 1604.70183 -312.3301257 -312.3206748 0.0001453982119 2.183997845 3.389739231 0.0789370238
|
|
1460 65 1604.70183 -312.5427384 -312.654817 0.001724285948 0.555583088 0.145299961 0.02851174266
|
|
1461 65 1604.70183 -312.5435916 -312.6557767 0.001725924293 0.5591594279 0.1638706858 0.02853434398
|
|
1462 65 1604.70183 -312.5442628 -312.6571103 0.001736115912 0.5588739776 0.09919509428 0.02814252216
|
|
1463 65 1604.70183 -312.5443231 -312.6575315 0.001741667918 0.5674744399 0.1167795243 0.02810911879
|
|
1464 65 1604.70183 -312.5450816 -312.6582116 0.001740462614 0.5606523026 0.07141543596 0.02797858317
|
|
1465 65 1604.70183 -312.545237 -312.6582727 0.001739010649 0.5608592923 0.08591795037 0.02800192541
|
|
1466 65 1604.70183 -312.5458714 -312.658692 0.00173570116 0.556693609 0.05464787808 0.02798526245
|
|
1467 65 1604.70183 -312.5460309 -312.6587369 0.001733938853 0.5568084097 0.06975183178 0.02801198664
|
|
1468 65 1604.70183 -312.5463694 -312.6590101 0.001732933323 0.5597935498 0.05304330046 0.02799034932
|
|
1469 65 1604.70183 -312.5464281 -312.6590221 0.001732214619 0.5613026494 0.06581872891 0.02798115967
|
|
1470 65 1604.70183 -312.5040054 -312.6055894 0.001562830741 0.7593692721 0.7900772516 0.03687407045
|
|
1471 65 1604.70183 -312.5469705 -312.6591795 0.001726293174 0.5603704916 0.05486684366 0.02785052481
|
|
1472 65 1604.70183 -312.5469761 -312.659179 0.001726198333 0.5603534701 0.05470551136 0.02784888894
|
|
1473 65 1604.70183 -312.5475643 -312.6593069 0.001719117537 0.5595575925 0.03277021192 0.02788652929
|
|
1474 65 1604.70183 -312.5476692 -312.6593087 0.001717530415 0.5596217632 0.03619545847 0.02786239893
|
|
1475 65 1604.70183 -312.548035 -312.65938 0.001712999268 0.5576819199 0.02054233675 0.02802646747
|
|
1476 65 1604.70183 -312.5482249 -312.6593876 0.001710194535 0.5568213953 0.02544780837 0.02813139482
|
|
1477 65 1604.70183 -312.5062797 -312.6078171 0.001562113431 0.7494015306 0.7921786049 0.03680302887
|
|
1478 65 1604.70183 -312.5202835 -312.6304102 0.001694256856 0.6582526398 0.4484425148 0.03163294781
|
|
1479 65 1604.70183 -312.5251127 -312.6365985 0.001715167392 0.6603897758 0.4575187639 0.03156341192
|
|
1480 65 1604.70183 -312.5321277 -312.6453488 0.001741862813 0.622339977 0.3062924865 0.02969526613
|
|
1481 65 1604.70183 -312.5342926 -312.6474673 0.001741148478 0.6697376165 0.4179093656 0.02934549279
|
|
1482 65 1604.70183 -312.5404798 -312.6525929 0.001724816206 0.5708894757 0.1985261599 0.02869332145
|
|
1483 65 1604.70183 -312.5412947 -312.652785 0.001715233928 0.5629160932 0.2240826165 0.02879881511
|
|
1484 65 1604.70183 -312.6765618 -312.7159502 0.000605974389 1.397388507 2.168297738 0.04960087259
|
|
1485 65 1604.70183 -312.779697 -312.8654033 0.00131855829 0.4549975656 0.08500929041 0.02193088006
|
|
1486 65 1604.70183 -312.7799126 -312.865742 0.001320453486 0.4553413684 0.09784340803 0.02178779699
|
|
1487 65 1604.70183 -312.7799285 -312.8663836 0.001330079487 0.4515688791 0.05970326011 0.02185378742
|
|
1488 65 1604.70183 -312.7797903 -312.8665704 0.0013350791 0.4511438816 0.07126206381 0.022015953
|
|
1489 65 1604.70183 -312.7793464 -312.8670142 0.001348735708 0.4537690182 0.05108921113 0.02160555866
|
|
1490 65 1604.70183 -312.7785126 -312.8672384 0.001365011429 0.4609804606 0.09110849495 0.02118198836
|
|
1491 65 1604.70183 -312.7783599 -312.8674458 0.001370552064 0.458981507 0.07799756682 0.02105341776
|
|
1492 65 1604.70183 -312.7777122 -312.8677627 0.001385393051 0.4563754214 0.08841182136 0.02070556265
|
|
1493 65 1604.70183 -312.7778522 -312.8680543 0.001387723245 0.4564888481 0.05695538054 0.02066651751
|
|
1494 65 1604.70183 -312.7778622 -312.8682015 0.001389835714 0.4616137388 0.07864845119 0.02074927106
|
|
1495 65 1604.70183 -312.7566533 -312.8425211 0.001321041808 0.6025600472 0.5226966217 0.02386235323
|
|
1496 65 1604.70183 -312.7783396 -312.8684803 0.001386780089 0.4556953638 0.06082312863 0.02069854078
|
|
1497 65 1604.70183 -312.7790462 -312.8686936 0.001379190933 0.4478968426 0.08369111397 0.02077572779
|
|
1498 65 1604.70183 -312.7795018 -312.8690064 0.001376994273 0.4462725046 0.05605501197 0.02044104297
|
|
1499 65 1604.70183 -312.7798848 -312.869152 0.001373340783 0.4470051933 0.0657281091 0.02016757192
|
|
1500 65 1604.70183 -312.7801513 -312.8693929 0.001372947583 0.4432584272 0.04290395344 0.02001669751
|
|
1501 65 1604.70183 -312.7802758 -312.8694605 0.001372072731 0.4416408007 0.05182760441 0.01998626657
|
|
1502 65 1604.70183 -312.7804071 -312.8696538 0.001373026058 0.4441182912 0.04127732369 0.01986764811
|
|
1503 65 1604.70183 -312.7804703 -312.8697356 0.001373312327 0.4499850412 0.0780404356 0.0198147305
|
|
1504 65 1604.70183 -312.7805826 -312.8698108 0.001372741027 0.4485352991 0.07443355489 0.01976776173
|
|
1505 65 1604.70183 -312.7808922 -312.8700026 0.001370928452 0.4445494583 0.06964737679 0.01976996124
|
|
1506 65 1604.70183 -312.7603767 -312.8456189 0.00131141847 0.5634132458 0.4828166376 0.02408225204
|
|
1507 65 1604.70183 -312.7810488 -312.8700916 0.00136988941 0.441106491 0.05064571752 0.01973081569
|
|
1508 65 1604.70183 -312.78131 -312.8701628 0.001366966531 0.4359220472 0.04654086702 0.01961729651
|
|
1509 65 1604.70183 -312.7814585 -312.8702158 0.001365496889 0.4367108247 0.03628201067 0.01949824312
|
|
1510 65 1604.70183 -312.7817626 -312.8702555 0.0013614292 0.4396459243 0.04666243871 0.01925894458
|
|
1511 65 1604.70183 -312.767376 -312.8545239 0.001340736966 0.5185512984 0.2930063883 0.02198000132
|
|
1512 65 1604.70183 -312.7719386 -312.8580391 0.001324623596 0.5089466984 0.2946344923 0.0230005219
|
|
1513 65 1604.70183 -312.7758897 -312.8618364 0.001322257288 0.4623479215 0.1824399 0.02252861573
|
|
1514 65 1604.70183 -312.7773164 -312.8626371 0.00131262673 0.4678559155 0.2350394036 0.022630625
|
|
1515 65 1604.70183 -312.7791619 -312.8644913 0.001312759645 0.4604328842 0.1366550997 0.02225699396
|
|
1516 65 1604.70183 -312.7791294 -312.8644947 0.001313311867 0.4595598419 0.1312536124 0.02224957616
|
|
1517 65 1604.70183 -312.4362346 -312.333868 0.001574870173 0.7195735474 1.188326454 0.03522891393
|
|
1518 65 1604.70183 -312.4806168 -312.3972401 0.001282718576 0.3858781745 0.04371284253 0.01960669136
|
|
1519 65 1604.70183 -312.4810517 -312.3973262 0.001288083691 0.3847613279 0.05404305614 0.01980358626
|
|
1520 65 1604.70183 -312.4813362 -312.3975356 0.001289240269 0.3849852576 0.04083076281 0.01953136448
|
|
1521 65 1604.70183 -312.4816223 -312.3976308 0.001292175567 0.3868185001 0.06360311688 0.01928738974
|
|
1522 65 1604.70183 -312.482008 -312.3977584 0.001296148806 0.3866827659 0.04995381103 0.01924120508
|
|
1523 65 1604.70183 -312.4828516 -312.3978692 0.001307420989 0.3893406727 0.04464682791 0.01930221814
|
|
1524 65 1604.70183 -312.4833094 -312.3979567 0.001313117778 0.3886421064 0.02073837783 0.01930200077
|
|
1525 65 1604.70183 -312.4835472 -312.3979634 0.001316672986 0.3887189472 0.0206079852 0.01937863585
|
|
1526 65 1604.70183 -312.4838831 -312.39799 0.001321431418 0.3863260457 0.01504015176 0.01941496991
|
|
1527 65 1604.70183 -312.4842658 -312.3979969 0.001327215205 0.3837638602 0.02235873024 0.01963300805
|
|
1528 65 1604.70183 -312.4577871 -312.3781124 0.001225764489 0.4769977415 0.4628637028 0.01842130557
|
|
1529 65 1604.70183 -312.4599404 -312.3827926 0.001186889548 0.4840732416 0.4064338063 0.01837589372
|
|
1530 65 1604.70183 -312.4661417 -312.3897535 0.001175202483 0.4396950642 0.2636090059 0.01645228827
|
|
1531 65 1604.70183 -312.4726884 -312.3938568 0.00121279398 0.4203402845 0.2298444864 0.01863059026
|
|
1532 65 1604.70183 -312.4771182 -312.3961663 0.00124541356 0.396507845 0.09724602398 0.01940263071
|
|
1533 65 1604.70183 -312.4787171 -312.3963796 0.001266729703 0.3923664921 0.09586946525 0.020065397
|
|
1534 65 1604.70183 -312.4795697 -312.3968549 0.001272535082 0.3888094156 0.05675509794 0.0195774975
|
|
1535 65 1604.70183 -312.4799162 -312.3969261 0.001276771864 0.3891614921 0.07047845301 0.01935178131
|
|
1536 65 1604.70183 -311.7492335 -311.2348682 0.007913312315 0.8268562398 0.9996564599 0.03468202613
|
|
1537 65 1604.70183 -311.781622 -311.2747215 0.007798469119 0.5623017232 0.02195966038 0.02268638892
|
|
1538 65 1604.70183 -311.7825977 -311.2746781 0.007814147136 0.5595975276 0.02455441698 0.02300459585
|
|
1539 65 1604.70183 -311.7834657 -311.2746607 0.007827770341 0.5570587277 0.01258058516 0.0228354203
|
|
1540 65 1604.70183 -311.7836665 -311.2746492 0.007831034472 0.5564958675 0.01392046238 0.02283693382
|
|
1541 65 1604.70183 -311.7687099 -311.2651045 0.007747776271 0.638673712 0.3484006169 0.02187960211
|
|
1542 65 1604.70183 -311.7714367 -311.2674219 0.007754073982 0.616982704 0.2979994374 0.02248468838
|
|
1543 65 1604.70183 -311.7744774 -311.2710971 0.007744311484 0.5948183462 0.191070337 0.02210922634
|
|
1544 65 1604.70183 -311.7771985 -311.2731729 0.007754239443 0.5768976823 0.1657195843 0.02427987162
|
|
1545 65 1604.70183 -311.7783346 -311.2743766 0.007753199865 0.5722702447 0.07826520167 0.02341033109
|
|
1546 65 1604.70183 -311.778843 -311.2745599 0.007758200683 0.5717641709 0.06924284238 0.02311250787
|
|
1547 65 1604.70183 -311.7800014 -311.2747141 0.007773651436 0.5672850607 0.03444687336 0.02260794535
|
|
1548 65 1604.70183 -311.7804808 -311.2747033 0.007781192016 0.5656326855 0.03900213994 0.02257612975
|
|
1549 65 1604.70183 -312.3082768 -312.1287363 0.002762160322 0.9937571194 1.54194865 0.04271787948
|
|
1550 65 1604.70183 -312.3637667 -312.2187507 0.002231015909 0.4628345358 0.05918640633 0.02238640539
|
|
1551 65 1604.70183 -312.3637858 -312.2190409 0.002226844498 0.4646089431 0.0742889861 0.02255158412
|
|
1552 65 1604.70183 -312.363872 -312.219555 0.002220261086 0.465813825 0.04892267893 0.02232967964
|
|
1553 65 1604.70183 -312.3637756 -312.2198484 0.002214264748 0.4692499044 0.06180177563 0.02225122632
|
|
1554 65 1604.70183 -312.3638142 -312.220153 0.002210172508 0.4689833257 0.03887495663 0.02229579968
|
|
1555 65 1604.70183 -312.3637464 -312.2202354 0.002207861745 0.4699013104 0.05066776441 0.02243774535
|
|
1556 65 1604.70183 -312.3635848 -312.2204422 0.002202193454 0.4763927034 0.04499900624 0.02258776673
|
|
1557 65 1604.70183 -312.3636699 -312.2204062 0.002204056649 0.4734080655 0.03359847056 0.02255952741
|
|
1558 65 1604.70183 -312.3495541 -312.1986598 0.002321450015 0.5637137448 0.477116045 0.02534858106
|
|
1559 65 1604.70183 -312.3527505 -312.2025184 0.002311263239 0.5426381082 0.4257655759 0.0251759323
|
|
1560 65 1604.70183 -312.3579655 -312.2095824 0.002282817438 0.4903834391 0.2631201474 0.02315254758
|
|
1561 65 1604.70183 -312.3605326 -312.212478 0.002277762043 0.497277362 0.2720535465 0.02297177056
|
|
1562 65 1604.70183 -312.3626327 -312.2159609 0.002256489286 0.4658800704 0.1496272607 0.02241245333
|
|
1563 65 1604.70183 -312.3627486 -312.2166428 0.002247781032 0.4831652299 0.1829420177 0.02231453636
|
|
1564 65 1604.70183 -312.3635665 -312.2180967 0.002237996378 0.4627721478 0.08310642569 0.02243038828
|
|
1565 65 1604.70183 -312.3635418 -312.2181582 0.002236670308 0.4646124883 0.09241389332 0.02252860088
|
|
1566 65 1604.70183 -312.3942681 -312.236188 0.002432000945 1.094298732 1.961407897 0.05375712392
|
|
1567 65 1604.70183 -312.4869719 -312.3977724 0.001372300111 0.3706584829 0.06357048513 0.01995325012
|
|
1568 65 1604.70183 -312.4865767 -312.3979004 0.00136425054 0.3721146701 0.07353398066 0.01982498417
|
|
1569 65 1604.70183 -312.4859195 -312.3981568 0.001350195238 0.3774018211 0.03222553356 0.01991589141
|
|
1570 65 1604.70183 -312.4856624 -312.3981508 0.001346332269 0.3797506414 0.03899801706 0.02007698239
|
|
1571 65 1604.70183 -312.4849374 -312.3981887 0.001334595336 0.3875195633 0.0268252255 0.01952047051
|
|
1572 65 1604.70183 -312.484974 -312.3981899 0.001335139394 0.387084382 0.02592544977 0.0195296183
|
|
1573 65 1604.70183 -312.4588466 -312.3596196 0.001526569571 0.5702196798 0.7481307177 0.02605165882
|
|
1574 65 1604.70183 -312.4683668 -312.3756551 0.001426333531 0.5117985065 0.5543902615 0.02028563559
|
|
1575 65 1604.70183 -312.4773698 -312.387789 0.001378165965 0.4316779392 0.3104521376 0.01880514048
|
|
1576 65 1604.70183 -312.4823153 -312.3920315 0.001388980907 0.406017079 0.2443965406 0.02005375729
|
|
1577 65 1604.70183 -312.4847332 -312.3947988 0.001383606883 0.3852699275 0.1302215855 0.01940168317
|
|
1578 65 1604.70183 -312.4856349 -312.3954613 0.001387285232 0.3876370163 0.1302137945 0.01947310885
|
|
1579 65 1604.70183 -312.4864878 -312.3964778 0.0013847695 0.3792657631 0.09065542118 0.01961982311
|
|
1580 65 1604.70183 -312.4871484 -312.3970449 0.00138620749 0.3736193162 0.1153045014 0.02048246561
|
|
1581 65 1604.70183 -311.9180566 -311.7370707 0.002784398278 1.179441505 1.617388931 0.0400588388
|
|
1582 65 1604.70183 -311.9750311 -311.8253939 0.002302111347 0.5495699941 0.07287883312 0.02842653066
|
|
1583 65 1604.70183 -311.9731197 -311.8255611 0.002270133592 0.554200062 0.09144487456 0.02926279781
|
|
1584 65 1604.70183 -311.9700779 -311.8260534 0.002215761745 0.5681172691 0.05727231457 0.02871478557
|
|
1585 65 1604.70183 -311.9686199 -311.8261188 0.002192325011 0.5753215756 0.06211705222 0.02843736146
|
|
1586 65 1604.70183 -311.9675129 -311.8264523 0.002170163328 0.5732714552 0.04122839703 0.02837850286
|
|
1587 65 1604.70183 -311.9666742 -311.8265429 0.002155866251 0.5731058413 0.05666638895 0.02832685586
|
|
1588 65 1604.70183 -311.9654879 -311.8266866 0.002135404393 0.5787372099 0.03534014898 0.02832581007
|
|
1589 65 1604.70183 -311.965299 -311.8266893 0.002132457329 0.5799347601 0.03917127154 0.02837238114
|
|
1590 65 1604.70183 -311.9648368 -311.8267943 0.002123731083 0.5790000955 0.02331143541 0.02834912757
|
|
1591 65 1604.70183 -311.964685 -311.8268049 0.002121231573 0.5790364216 0.02847534254 0.02835989958
|
|
1592 65 1604.70183 -311.9695702 -311.807836 0.002488218498 0.6282994997 0.4364812907 0.0288348501
|
|
1593 65 1604.70183 -311.9731145 -311.8096876 0.002514260233 0.5893992446 0.4247065819 0.0300443313
|
|
1594 65 1604.70183 -311.9774761 -311.8167905 0.002472085536 0.5469810803 0.256668869 0.02896798092
|
|
1595 65 1604.70183 -311.9796453 -311.819826 0.002458758401 0.531238914 0.2401659989 0.02989740093
|
|
1596 65 1604.70183 -311.9793634 -311.8225373 0.00241271044 0.5396054491 0.1373546088 0.0290475267
|
|
1597 65 1604.70183 -311.9779358 -311.8234045 0.00237740451 0.5663080312 0.150141204 0.02826341013
|
|
1598 65 1604.70183 -311.9770839 -311.8245661 0.002346427873 0.5495692834 0.09489433833 0.02801193898
|
|
1599 65 1604.70183 -311.9766454 -311.8246518 0.002338362817 0.5494711523 0.1160296015 0.0278747262
|
|
1600 65 1604.70183 -311.7802918 -311.61284 0.00257618018 0.7636515487 1.389388578 0.04120677492
|
|
1601 65 1604.70183 -311.8206605 -311.6908775 0.001996661576 0.2680937408 0.107279865 0.01627751131
|
|
1602 65 1604.70183 -311.8187373 -311.6934138 0.001928053938 0.2933621856 0.1196836435 0.01742674534
|
|
1603 65 1604.70183 -311.817551 -311.6942056 0.001897621435 0.3099417409 0.1484302015 0.01834165278
|
|
1604 65 1604.70183 -311.8165486 -311.695683 0.001859471327 0.324343151 0.1457329572 0.01886384969
|
|
1605 65 1604.70183 -311.8125168 -311.6995205 0.001738404564 0.381503845 0.166436411 0.02045612639
|
|
1606 65 1604.70183 -311.8123291 -311.7017357 0.001701436466 0.3910796447 0.1463846837 0.0202653457
|
|
1607 65 1604.70183 -311.8104516 -311.706665 0.00159671753 0.4388808877 0.1841154237 0.02097034068
|
|
1608 65 1604.70183 -311.811363 -311.7093732 0.001569073065 0.4368520707 0.1517065309 0.02107624388
|
|
1609 65 1604.70183 -311.8126981 -311.7151929 0.001500079787 0.4496267584 0.1847180673 0.02189218225
|
|
1610 65 1604.70183 -311.8091008 -311.7153281 0.001442656956 0.5480229085 0.5104476857 0.02892444008
|
|
1611 65 1604.70183 -311.8100599 -311.6734324 0.002101961702 0.419681362 0.483687256 0.01952505673
|
|
1612 65 1604.70183 -311.8125282 -311.7168022 0.001472708114 0.4682809169 0.2630679349 0.02310610802
|
|
1613 65 1604.70183 -311.8130631 -311.71827 0.001458356082 0.4699322659 0.248599392 0.02296512267
|
|
1614 65 1604.70183 -311.8141706 -311.7218214 0.001420757288 0.4800878711 0.2183110861 0.02340301546
|
|
1615 65 1604.70183 -311.8142848 -311.7251301 0.001371609461 0.5200900825 0.2417327988 0.0251784488
|
|
1616 65 1604.70183 -311.8160016 -311.72737 0.001363562494 0.5115203077 0.179752837 0.02517522337
|
|
1617 65 1604.70183 -311.817988 -311.7297102 0.001358120307 0.5204274668 0.2020669559 0.0261887877
|
|
1618 65 1604.70183 -311.8202423 -311.7320295 0.00135712035 0.5128855149 0.1403102391 0.02630461186
|
|
1619 65 1604.70183 -311.8222066 -311.7336903 0.001361788902 0.5168695997 0.146467297 0.02700011784
|
|
1620 65 1604.70183 -311.8241238 -311.7350658 0.001370122224 0.5060568192 0.09099578139 0.0270451964
|
|
1621 65 1604.70183 -311.8249029 -311.735314 0.001378289549 0.5038228522 0.1250668592 0.02722287721
|
|
1622 65 1604.70183 -311.813123 -311.6796296 0.002053743648 0.3901576875 0.3524291236 0.01702911484
|
|
1623 65 1604.70183 -311.8264098 -311.7364508 0.001383984523 0.4994684758 0.09106363231 0.02727555962
|
|
1624 65 1604.70183 -311.8273163 -311.7369162 0.001390770616 0.5060086639 0.1245486893 0.02731818802
|
|
1625 65 1604.70183 -311.8288725 -311.7380594 0.001397125181 0.5119532412 0.09655823044 0.02680125947
|
|
1626 65 1604.70183 -311.8302467 -311.7384547 0.001412184768 0.526686591 0.1667789581 0.02627220007
|
|
1627 65 1604.70183 -311.8317422 -311.7391844 0.001423965561 0.5288108677 0.1591503132 0.02633856344
|
|
1628 65 1604.70183 -311.8360919 -311.7410332 0.001462441313 0.5374937577 0.1684189821 0.02663804084
|
|
1629 65 1604.70183 -311.8445678 -311.7433445 0.001557282339 0.5620451103 0.284113402 0.02869201075
|
|
1630 65 1604.70183 -311.8611895 -311.7416526 0.001839029612 0.625273212 0.6078985961 0.03445476037
|
|
1631 65 1604.70183 -311.8546973 -311.7435502 0.00170995644 0.5986320118 0.4741557584 0.03188375988
|
|
1632 65 1604.70183 -311.8556264 -311.7438906 0.001719012651 0.600161044 0.4791641612 0.03195850081
|
|
1633 65 1604.70183 -311.8168136 -311.6843619 0.002037719997 0.3392772319 0.206768869 0.01384999635
|
|
1634 65 1604.70183 -311.8584188 -311.7449019 0.001746413233 0.604701117 0.4950837039 0.0322560808
|
|
1635 65 1604.70183 -311.8640325 -311.7467965 0.001803630042 0.6134142896 0.5286605228 0.03304283559
|
|
1636 65 1604.70183 -311.8748775 -311.7494632 0.001929450919 0.6301111011 0.6063389044 0.03586931949
|
|
1637 65 1604.70183 -311.8905324 -311.7404734 0.002308600444 0.6714680664 0.8492895568 0.04408444453
|
|
1638 65 1604.70183 -311.8774528 -311.749702 0.001965395907 0.6344481172 0.6294937719 0.03670238831
|
|
1639 65 1604.70183 -311.8814046 -311.7543466 0.001954738667 0.6291578726 0.5897539351 0.03593731791
|
|
1640 65 1604.70183 -311.8910814 -311.7653682 0.001934049969 0.6268717605 0.508858474 0.03371713954
|
|
1641 65 1604.70183 -311.8985407 -311.7660341 0.002038562786 0.6875094267 0.6384762549 0.03476379696
|
|
1642 65 1604.70183 -311.8964044 -311.7700033 0.001944633811 0.6424314636 0.5096465215 0.03309099062
|
|
1643 65 1604.70183 -311.8989792 -311.7761928 0.00188902067 0.6345395995 0.4397650545 0.03205766557
|
|
1644 65 1604.70183 -311.8191455 -311.6860327 0.00204788918 0.3093536941 0.1920151336 0.01599830068
|
|
1645 65 1604.70183 -311.9038811 -311.7889904 0.001767549829 0.6352934841 0.3419756759 0.02890005444
|
|
1646 65 1604.70183 -311.9013006 -311.788549 0.001734639681 0.7378446912 0.7049765192 0.03152075638
|
|
1647 65 1604.70183 -311.9047167 -311.7931456 0.001716479534 0.6675280528 0.4531293554 0.02775368758
|
|
1648 65 1604.70183 -311.9090878 -311.8008879 0.001664615036 0.6527794773 0.3454249312 0.02781405129
|
|
1649 65 1604.70183 -311.9133569 -311.8096147 0.001596033352 0.6640247637 0.2678307655 0.02879226542
|
|
1650 65 1604.70183 -311.9133044 -311.8097347 0.001593379521 0.6700958724 0.2876800076 0.02895722054
|
|
1651 65 1604.70183 -311.9197176 -311.8139623 0.001627004448 0.6488549703 0.1975828832 0.02925450988
|
|
1652 65 1604.70183 -311.9266845 -311.81628 0.001698531231 0.643327126 0.2364727963 0.03005556131
|
|
1653 65 1604.70183 -311.9342178 -311.8197224 0.001761468219 0.6090277178 0.1780470023 0.02932318911
|
|
1654 65 1604.70183 -311.9384628 -311.8205408 0.001814184022 0.6121189209 0.2543760847 0.02877264113
|
|
1655 65 1604.70183 -311.8207229 -311.6877615 0.0020455599 0.2732083272 0.1142191814 0.01488396011
|
|
1656 65 1604.70183 -311.9441915 -311.8229968 0.001864532692 0.60070368 0.1602485431 0.02845358321
|
|
1657 65 1604.70183 -311.9509158 -311.82413 0.001950550996 0.605223185 0.1424902397 0.0280584889
|
|
1658 65 1604.70183 -311.9542982 -311.8251371 0.001987092751 0.5931856385 0.08989768538 0.02801085882
|
|
1659 65 1604.70183 -311.8215401 -311.6883861 0.002048523347 0.2551235258 0.111609603 0.01525670681
|
|
1660 65 1604.70183 -311.8215111 -311.6892595 0.002034640451 0.2544248914 0.08685349601 0.01530245028
|
|
1661 65 1604.70183 -311.8210666 -311.6898947 0.002018029509 0.264018475 0.1223252968 0.01603891044
|
|
1662 65 1604.70183 -312.4510516 -312.3850669 0.001015149301 1.522265355 2.12467322 0.05755549483
|
|
1663 65 1604.70183 -312.5939004 -312.5900157 5.976380462e-05 0.7679606447 0.09288650788 0.0352848764
|
|
1664 65 1604.70183 -312.5944529 -312.5903197 6.358735871e-05 0.7717795815 0.1082413149 0.03551486939
|
|
1665 65 1604.70183 -312.5963249 -312.5912064 7.874701099e-05 0.7689353364 0.07061411505 0.03552537901
|
|
1666 65 1604.70183 -312.5980076 -312.5916557 9.772176943e-05 0.769748962 0.09532302583 0.03578366263
|
|
1667 65 1604.70183 -312.6001851 -312.5924708 0.0001186819718 0.763577756 0.06268508776 0.03551504872
|
|
1668 65 1604.70183 -312.601531 -312.5928123 0.0001341339244 0.7612928907 0.07237214568 0.03546180126
|
|
1669 65 1604.70183 -312.6028149 -312.5933086 0.0001462511039 0.7596040638 0.0407745443 0.0355234709
|
|
1670 65 1604.70183 -312.603302 -312.5934126 0.0001521456716 0.7598997392 0.05425314955 0.03561897284
|
|
1671 65 1604.70183 -312.604353 -312.5937509 0.0001631099114 0.7582568732 0.03495556667 0.03545174365
|
|
1672 65 1604.70183 -312.6047681 -312.5938293 0.0001682901366 0.7580297703 0.04355003891 0.03541801555
|
|
1673 65 1604.70183 -312.5385398 -312.5262227 0.0001894938588 0.9736787374 0.8335388397 0.03998658645
|
|
1674 65 1604.70183 -312.6055759 -312.5940644 0.0001770999593 0.7613620706 0.03338051978 0.03551080869
|
|
1675 65 1604.70183 -312.6058732 -312.5941113 0.0001809526389 0.7629261458 0.04454970651 0.03556052259
|
|
1676 65 1604.70183 -312.6067489 -312.594274 0.000191921201 0.7621712029 0.02917220281 0.03566270432
|
|
1677 65 1604.70183 -312.6070595 -312.594306 0.0001962067984 0.7623459129 0.03633247821 0.03571588937
|
|
1678 65 1604.70183 -312.5498612 -312.5413246 0.0001313326187 0.9372070459 0.7588044149 0.03712241372
|
|
1679 65 1604.70183 -312.5698048 -312.5649386 7.486440338e-05 0.8291170078 0.4596108311 0.03560294506
|
|
1680 65 1604.70183 -312.5823295 -312.574856 0.0001149778168 0.7844661491 0.45636622 0.03759474437
|
|
1681 65 1604.70183 -312.5889116 -312.5840378 7.498039044e-05 0.7620519386 0.2546907237 0.0366835935
|
|
1682 65 1604.70183 -312.5899057 -312.5853166 7.060108625e-05 0.7846375186 0.3093502651 0.03691977727
|
|
1683 65 1604.70183 -312.5924205 -312.5886299 5.831668979e-05 0.7688682082 0.161112223 0.03532007323
|
|
1684 65 1604.70183 -312.5924206 -312.5886298 5.83202896e-05 0.7688974004 0.1612943761 0.03532295395
|
|
1685 65 1604.70183 -312.6739458 -312.7220629 0.0007402629507 1.343192198 2.018991348 0.04527449813
|
|
1686 65 1604.70183 -312.7816631 -312.8657124 0.00129306555 0.4641675188 0.10066527 0.02146506191
|
|
1687 65 1604.70183 -312.7824096 -312.8661537 0.001288371058 0.4593230578 0.1160045485 0.02140721242
|
|
1688 65 1604.70183 -312.7827097 -312.8670765 0.001297951341 0.4517517795 0.07223430571 0.02117155404
|
|
1689 65 1604.70183 -312.7827062 -312.867388 0.001302795928 0.449515524 0.09349027471 0.02138303966
|
|
1690 65 1604.70183 -312.782481 -312.8681361 0.001317770758 0.4484735522 0.06209768045 0.02071424159
|
|
1691 65 1604.70183 -312.7820984 -312.8684286 0.001328157453 0.4503763125 0.08406537966 0.02040153776
|
|
1692 65 1604.70183 -312.7821998 -312.8690162 0.001335637848 0.4443115411 0.06841735028 0.01988575967
|
|
1693 65 1604.70183 -312.7821284 -312.8690893 0.001337859188 0.4443389193 0.09535145 0.01972203653
|
|
1694 65 1604.70183 -312.7823322 -312.8694314 0.001339986902 0.4430941658 0.06817042813 0.01978224298
|
|
1695 65 1604.70183 -312.7823842 -312.8695849 0.001341548832 0.4457852869 0.08261573572 0.01996550908
|
|
1696 65 1604.70183 -312.7473949 -312.8362187 0.001366519515 0.6483196753 0.5837512579 0.02394935356
|
|
1697 65 1604.70183 -312.7827559 -312.8699095 0.00134082469 0.4407412927 0.05698701413 0.01979459368
|
|
1698 65 1604.70183 -312.7830046 -312.8700714 0.001339490054 0.4376862761 0.06448288233 0.01976308597
|
|
1699 65 1604.70183 -312.7833527 -312.8703353 0.001338193557 0.434404203 0.04067737912 0.01949855309
|
|
1700 65 1604.70183 -312.7523629 -312.8407055 0.001359117163 0.6093201484 0.5469053726 0.02446462271
|
|
1701 65 1604.70183 -312.7622365 -312.8522602 0.001384980202 0.5530309795 0.3270158208 0.02116709364
|
|
1702 65 1604.70183 -312.7688518 -312.8567924 0.001352932475 0.5388133143 0.3140059434 0.02284913669
|
|
1703 65 1604.70183 -312.7744321 -312.8612237 0.001335255217 0.4898473658 0.1939039557 0.02183653241
|
|
1704 65 1604.70183 -312.7769584 -312.8622631 0.00131238102 0.4911278463 0.2438804772 0.0217209834
|
|
1705 65 1604.70183 -312.7802896 -312.8644083 0.001294134453 0.4777001073 0.1566249126 0.02192511623
|
|
1706 65 1604.70183 -312.780274 -312.8644088 0.001294382113 0.4775291363 0.1553162351 0.0219119218
|
|
# s_vIn.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1707 63 1604.70183 -302.4723613 -301.963864 0.00807138611 0.7503228209 1.255303072 0.0411580261
|
|
1708 63 1604.70183 -302.5717986 -302.0639546 0.008061015576 0.6187164138 0.1439802587 0.02075486367
|
|
1709 63 1604.70183 -302.5825981 -302.0650808 0.008214560288 0.6244236845 0.1518789276 0.02150426704
|
|
1710 63 1604.70183 -302.5901442 -302.0666063 0.008310125706 0.6198998723 0.06759786497 0.02257459914
|
|
1711 63 1604.70183 -302.593363 -302.066815 0.008357905249 0.6199076487 0.07299485635 0.02333115775
|
|
1712 63 1604.70183 -302.5945672 -302.0672434 0.008370219359 0.630274001 0.03153428306 0.02339946701
|
|
1713 63 1604.70183 -302.5950709 -302.0673202 0.008376994643 0.6357040225 0.03175548866 0.02354731292
|
|
1714 63 1604.70183 -302.5957252 -302.0673961 0.008386175162 0.637111431 0.0141777282 0.02371649196
|
|
1715 63 1604.70183 -302.5957163 -302.067397 0.008386021098 0.6370587111 0.01392129466 0.02371037802
|
|
1716 63 1604.70183 -302.4988 -302.0161101 0.007661744499 0.4741019735 0.5230398817 0.02392615243
|
|
1717 63 1604.70183 -302.503196 -302.0242245 0.007602723414 0.4439845687 0.3934456449 0.01954618673
|
|
1718 63 1604.70183 -302.5080162 -302.0319351 0.007556843796 0.4343436784 0.3097762997 0.01835533205
|
|
1719 63 1604.70183 -302.5166858 -302.041557 0.007541726152 0.4729170245 0.3339746283 0.022282543
|
|
1720 63 1604.70183 -302.5184911 -302.0422479 0.007559415992 0.4963638653 0.3907744969 0.02355220095
|
|
1721 63 1604.70183 -302.5264677 -302.0489124 0.007580244183 0.5171429359 0.3084001845 0.0223657876
|
|
1722 63 1604.70183 -302.5511078 -302.0592399 0.007807428146 0.6003753884 0.2324725691 0.02006992626
|
|
1723 63 1604.70183 -302.556945 -302.0598006 0.007891181519 0.6221745869 0.264032255 0.02043094953
|
|
# s_vP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1724 63 1604.70183 -300.8841803 -300.8419004 0.0006711100353 0.6284308222 1.051115235 0.03060541665
|
|
1725 63 1604.70183 -300.919395 -300.9042829 0.0002398756467 0.2584053828 0.03525655982 0.01299814918
|
|
1726 63 1604.70183 -300.919457 -300.9042834 0.0002408492179 0.2582084264 0.0375543632 0.01297038629
|
|
1727 63 1604.70183 -300.9197674 -300.9043871 0.0002441315514 0.2567899241 0.02279477012 0.01313182525
|
|
1728 63 1604.70183 -300.9199797 -300.9044126 0.0002470957789 0.2563631424 0.02889282738 0.01327873862
|
|
1729 63 1604.70183 -300.9201918 -300.9044777 0.0002494303526 0.2556511224 0.01859520366 0.01338702613
|
|
1730 63 1604.70183 -300.9202783 -300.9044856 0.000250677807 0.2555672795 0.02383622137 0.01346213722
|
|
1731 63 1604.70183 -300.9057188 -300.8798081 0.0004112816685 0.3639121046 0.4768100719 0.01722846904
|
|
1732 63 1604.70183 -300.9113719 -300.8874447 0.0003797956265 0.2864976135 0.3262189728 0.01565917116
|
|
1733 63 1604.70183 -300.9139695 -300.8921993 0.0003455593334 0.2439364264 0.2272705484 0.01406696992
|
|
1734 63 1604.70183 -300.9160005 -300.8951476 0.0003309989191 0.2257008668 0.2720266612 0.01616324974
|
|
1735 63 1604.70183 -300.9168436 -300.8991251 0.0002812465133 0.2191318649 0.18899597 0.01461972498
|
|
1736 63 1604.70183 -300.9171561 -300.9020577 0.0002396568126 0.2571616872 0.1812047891 0.01401691193
|
|
1737 63 1604.70183 -300.9183327 -300.903866 0.0002296301987 0.2581850822 0.07416054433 0.01298592399
|
|
1738 63 1604.70183 -300.9186132 -300.9039829 0.0002322262162 0.2636685075 0.07637585509 0.01316668971
|
|
1739 63 1604.70183 -300.761731 -300.7360143 0.0004082013901 1.088711264 1.699764745 0.04991863474
|
|
1740 63 1604.70183 -300.8774963 -300.9010154 0.0003733197156 0.3607214994 0.09504134909 0.01755173421
|
|
1741 63 1604.70183 -300.8786136 -300.9012712 0.0003596452757 0.3589639067 0.119374214 0.01804353093
|
|
1742 63 1604.70183 -300.880973 -300.9024223 0.0003404644159 0.3485633579 0.07390057041 0.01757646984
|
|
1743 63 1604.70183 -300.8826168 -300.9027788 0.000320032806 0.3445418235 0.08547472507 0.01764048595
|
|
1744 63 1604.70183 -300.8843564 -300.9033786 0.0003019393787 0.340641137 0.06234713001 0.01751041824
|
|
1745 63 1604.70183 -300.8848447 -300.9034138 0.0002947492049 0.3409421669 0.08066884258 0.01765797968
|
|
1746 63 1604.70183 -300.8866912 -300.903892 0.0002730290476 0.3352449255 0.06653314188 0.01747264198
|
|
1747 63 1604.70183 -300.8900552 -300.9042326 0.0002250376891 0.3295433142 0.1065524981 0.01776518759
|
|
1748 63 1604.70183 -300.8914458 -300.9046115 0.0002089783543 0.323406022 0.08556001491 0.0175519089
|
|
1749 63 1604.70183 -300.895163 -300.9051837 0.0001590574148 0.309224247 0.0656817627 0.01711876094
|
|
1750 63 1604.70183 -300.8187471 -300.8329203 0.0002249710683 0.66864894 0.7696926803 0.02893295017
|
|
1751 63 1604.70183 -300.9006657 -300.9039288 5.179512331e-05 0.3015549559 0.1959501679 0.01784227538
|
|
1752 63 1604.70183 -300.8971273 -300.9051255 0.0001269544058 0.3038211379 0.0951464456 0.01720447875
|
|
1753 63 1604.70183 -300.8988964 -300.9054262 0.0001036472504 0.2994103378 0.06599897376 0.01645634222
|
|
1754 63 1604.70183 -300.9012511 -300.9053614 6.524274878e-05 0.2989152142 0.08283985757 0.01600751186
|
|
1755 63 1604.70183 -300.9028834 -300.9055698 4.264202282e-05 0.2962186456 0.06327067003 0.01571353764
|
|
1756 63 1604.70183 -300.9045357 -300.9054704 1.483672216e-05 0.2973243048 0.09085590033 0.01575272449
|
|
1757 63 1604.70183 -300.9063552 -300.9057429 9.71799273e-06 0.2884807401 0.06941819226 0.01542035128
|
|
1758 63 1604.70183 -300.9088724 -300.9057308 4.986613893e-05 0.2793016715 0.08288516362 0.01507898621
|
|
1759 63 1604.70183 -300.9124503 -300.9040208 0.0001338020263 0.2812060245 0.1928511178 0.01489387029
|
|
1760 63 1604.70183 -300.9109141 -300.9051512 9.147555261e-05 0.2768512385 0.1334998331 0.01491976915
|
|
1761 63 1604.70183 -300.8321213 -300.8505367 0.0002923070174 0.5785146021 0.6213955083 0.02714672019
|
|
1762 63 1604.70183 -300.9118449 -300.9051298 0.0001065894855 0.2734464626 0.1256294185 0.01463001989
|
|
1763 63 1604.70183 -300.9142963 -300.9048357 0.0001501672728 0.2662175163 0.1107049978 0.01404799852
|
|
1764 63 1604.70183 -300.8440167 -300.8676537 0.0003751906939 0.5188260296 0.4282552364 0.02256107812
|
|
1765 63 1604.70183 -300.8533013 -300.8785697 0.0004010870151 0.5278911297 0.4623712699 0.02278426515
|
|
1766 63 1604.70183 -300.8631711 -300.8902517 0.0004298512535 0.4598639491 0.2758713346 0.019775999
|
|
1767 63 1604.70183 -300.868526 -300.8946842 0.0004152100696 0.4364336409 0.2591136678 0.01977322923
|
|
1768 63 1604.70183 -300.8732182 -300.8986431 0.0004035700916 0.3865654608 0.1411599181 0.01802163002
|
|
1769 63 1604.70183 -300.8747167 -300.8991785 0.0003882834203 0.3761269693 0.1663823221 0.0180423025
|
|
1770 63 1604.70183 -300.761731 -300.7360143 0.0004082013901 1.088711264 1.699764745 0.04991863474
|
|
1771 63 1604.70183 -300.8774963 -300.9010154 0.0003733197156 0.3607214994 0.09504134909 0.01755173421
|
|
1772 63 1604.70183 -300.8786136 -300.9012712 0.0003596452757 0.3589639067 0.119374214 0.01804353093
|
|
1773 63 1604.70183 -300.880973 -300.9024223 0.0003404644159 0.3485633579 0.07390057041 0.01757646984
|
|
1774 63 1604.70183 -300.8826168 -300.9027788 0.000320032806 0.3445418235 0.08547472507 0.01764048595
|
|
1775 63 1604.70183 -300.8843564 -300.9033786 0.0003019393787 0.340641137 0.06234713001 0.01751041824
|
|
1776 63 1604.70183 -300.8848447 -300.9034138 0.0002947492049 0.3409421669 0.08066884258 0.01765797968
|
|
1777 63 1604.70183 -300.8866912 -300.903892 0.0002730290476 0.3352449255 0.06653314188 0.01747264198
|
|
1778 63 1604.70183 -300.8900552 -300.9042326 0.0002250376891 0.3295433142 0.1065524981 0.01776518759
|
|
1779 63 1604.70183 -300.8914458 -300.9046115 0.0002089783543 0.323406022 0.08556001491 0.0175519089
|
|
1780 63 1604.70183 -300.895163 -300.9051837 0.0001590574148 0.309224247 0.0656817627 0.01711876094
|
|
1781 63 1604.70183 -300.8187471 -300.8329203 0.0002249710683 0.66864894 0.7696926803 0.02893295017
|
|
1782 63 1604.70183 -300.9006657 -300.9039288 5.179512331e-05 0.3015549559 0.1959501679 0.01784227538
|
|
1783 63 1604.70183 -300.8971273 -300.9051255 0.0001269544058 0.3038211379 0.0951464456 0.01720447875
|
|
1784 63 1604.70183 -300.8988964 -300.9054262 0.0001036472504 0.2994103378 0.06599897376 0.01645634222
|
|
1785 63 1604.70183 -300.9012511 -300.9053614 6.524274878e-05 0.2989152142 0.08283985757 0.01600751186
|
|
1786 63 1604.70183 -300.9028834 -300.9055698 4.264202282e-05 0.2962186456 0.06327067003 0.01571353764
|
|
1787 63 1604.70183 -300.9045357 -300.9054704 1.483672216e-05 0.2973243048 0.09085590033 0.01575272449
|
|
1788 63 1604.70183 -300.9063552 -300.9057429 9.71799273e-06 0.2884807401 0.06941819226 0.01542035128
|
|
1789 63 1604.70183 -300.9088724 -300.9057308 4.986613893e-05 0.2793016715 0.08288516362 0.01507898621
|
|
1790 63 1604.70183 -300.9124503 -300.9040208 0.0001338020263 0.2812060245 0.1928511178 0.01489387029
|
|
1791 63 1604.70183 -300.9109141 -300.9051512 9.147555261e-05 0.2768512385 0.1334998331 0.01491976915
|
|
1792 63 1604.70183 -300.8321213 -300.8505367 0.0002923070174 0.5785146021 0.6213955083 0.02714672019
|
|
1793 63 1604.70183 -300.9118449 -300.9051298 0.0001065894855 0.2734464626 0.1256294185 0.01463001989
|
|
1794 63 1604.70183 -300.9142963 -300.9048357 0.0001501672728 0.2662175163 0.1107049978 0.01404799852
|
|
1795 63 1604.70183 -300.8440167 -300.8676537 0.0003751906939 0.5188260296 0.4282552364 0.02256107812
|
|
1796 63 1604.70183 -300.8533013 -300.8785697 0.0004010870151 0.5278911297 0.4623712699 0.02278426515
|
|
1797 63 1604.70183 -300.8631711 -300.8902517 0.0004298512535 0.4598639491 0.2758713346 0.019775999
|
|
1798 63 1604.70183 -300.868526 -300.8946842 0.0004152100696 0.4364336409 0.2591136678 0.01977322923
|
|
1799 63 1604.70183 -300.8732182 -300.8986431 0.0004035700916 0.3865654608 0.1411599181 0.01802163002
|
|
1800 63 1604.70183 -300.8747167 -300.8991785 0.0003882834203 0.3761269693 0.1663823221 0.0180423025
|
|
# s_vv.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1801 62 1604.70183 -294.9672599 -294.8464567 0.001948438254 1.218592891 1.936865193 0.07017898882
|
|
1802 62 1604.70183 -295.0806403 -295.0536882 0.0004347107556 0.4790988623 0.08041896133 0.02586848956
|
|
1803 62 1604.70183 -295.0802893 -295.0537321 0.0004283418966 0.4769065652 0.07305595364 0.02581295717
|
|
1804 62 1604.70183 -295.082277 -295.0540018 0.0004560523149 0.4827633663 0.04177577511 0.0261722975
|
|
1805 62 1604.70183 -295.0831119 -295.0539914 0.0004696866105 0.4862810393 0.04851777377 0.0263634702
|
|
1806 62 1604.70183 -295.084722 -295.0539856 0.0004957492172 0.4859169347 0.02910152903 0.02721708228
|
|
1807 62 1604.70183 -295.0851873 -295.053941 0.0005039725832 0.4862267386 0.03746575669 0.02747371134
|
|
1808 62 1604.70183 -295.0865698 -295.053892 0.0005270617212 0.491291173 0.0277012169 0.02755786861
|
|
1809 62 1604.70183 -295.087454 -295.0538036 0.0005427479138 0.4947408414 0.03202675709 0.02758035141
|
|
1810 62 1604.70183 -295.0882799 -295.0537477 0.0005569707518 0.4985048115 0.02262651179 0.02774193499
|
|
1811 62 1604.70183 -295.0881928 -295.0537638 0.0005553056396 0.4980384905 0.01969124237 0.02772529649
|
|
1812 62 1604.70183 -295.0299407 -294.970757 0.0009545770193 0.7396456888 0.805841392 0.04335219622
|
|
1813 62 1604.70183 -295.0386565 -294.9904052 0.0007782470124 0.6635399904 0.5736876726 0.03643190175
|
|
1814 62 1604.70183 -295.0444726 -295.005392 0.0006303314528 0.5735987201 0.4288010958 0.03344109746
|
|
1815 62 1604.70183 -295.0497423 -295.0199643 0.0004802911362 0.4468853577 0.4788589248 0.03319399744
|
|
1816 62 1604.70183 -295.0511289 -295.0334233 0.0002855751486 0.412914223 0.3523211178 0.02798643806
|
|
1817 62 1604.70183 -295.0579787 -295.0457463 0.0001972962478 0.4728593576 0.364632667 0.02225997414
|
|
1818 62 1604.70183 -295.0715407 -295.0529039 0.0003005931017 0.4519887681 0.1424499642 0.02461639629
|
|
1819 62 1604.70183 -295.075468 -295.0528367 0.0003650211985 0.4598058593 0.1613427988 0.02601893431
|
|
1820 62 1604.70183 -295.6437402 -295.7667974 0.001984794478 1.101951383 1.241933429 0.07065064344
|
|
1821 62 1604.70183 -295.6584317 -295.8428527 0.002974532108 0.9059245159 0.06042308731 0.05397637275
|
|
1822 62 1604.70183 -295.6569539 -295.8430049 0.003000823493 0.9094440307 0.06690064222 0.05432239756
|
|
1823 62 1604.70183 -295.6564417 -295.8432599 0.003013196244 0.9085919464 0.03776811079 0.0541815139
|
|
1824 62 1604.70183 -295.6563667 -295.8432638 0.003014469616 0.9086613285 0.04101536582 0.0541603965
|
|
1825 62 1604.70183 -295.6563009 -295.8433898 0.003017563205 0.9083144105 0.02632908316 0.05437937781
|
|
1826 62 1604.70183 -295.6561776 -295.8434206 0.003020049312 0.9084065836 0.03543869754 0.05456180745
|
|
1827 62 1604.70183 -295.6557963 -295.8435125 0.003027680833 0.9083240905 0.02411023484 0.05431494177
|
|
1828 62 1604.70183 -295.6555947 -295.8435306 0.00303122537 0.9083567026 0.03077112026 0.05419333611
|
|
1829 62 1604.70183 -295.6552005 -295.8436004 0.003038707443 0.9077274908 0.01562662785 0.05419756291
|
|
1830 62 1604.70183 -295.6550681 -295.8436057 0.003040928899 0.9075878917 0.01708384052 0.05421249554
|
|
1831 62 1604.70183 -295.6648112 -295.8167845 0.002451182587 0.9539499354 0.4894330363 0.05675946661
|
|
1832 62 1604.70183 -295.6653242 -295.8230259 0.002543575659 0.9619624781 0.3758007258 0.05332120959
|
|
1833 62 1604.70183 -295.669588 -295.8292232 0.002574759832 0.9252453911 0.2702858705 0.0539704111
|
|
1834 62 1604.70183 -295.6742885 -295.83394 0.002575022934 0.8769729734 0.3148796555 0.05736904735
|
|
1835 62 1604.70183 -295.6707998 -295.8386637 0.002707482523 0.8782946659 0.1730625895 0.0560009008
|
|
1836 62 1604.70183 -295.6665416 -295.8399442 0.002796816345 0.8904229731 0.1749793019 0.05515358217
|
|
1837 62 1604.70183 -295.6633037 -295.8416248 0.002876145486 0.8955998748 0.1010047833 0.05420821043
|
|
1838 62 1604.70183 -295.6604964 -295.8420227 0.00292784398 0.9024681482 0.1152879517 0.05365567368
|
|
1839 62 1604.70183 -295.0461481 -294.8382597 0.003353038484 1.376007463 2.058118771 0.07224160463
|
|
1840 62 1604.70183 -295.1913814 -295.0875434 0.001674805691 0.5384196148 0.1272566374 0.02884710964
|
|
1841 62 1604.70183 -295.1933389 -295.0877404 0.001703201426 0.5410283372 0.1535920653 0.02886210343
|
|
1842 62 1604.70183 -295.1981877 -295.0897485 0.00174901827 0.5321510958 0.0919085924 0.02901561245
|
|
1843 62 1604.70183 -295.200779 -295.0902028 0.001783487411 0.5323027483 0.1148826245 0.0291975135
|
|
1844 62 1604.70183 -295.2038752 -295.0912372 0.001816742655 0.5270744721 0.07476920569 0.03063740088
|
|
1845 62 1604.70183 -295.2039072 -295.091241 0.001817196234 0.5270243274 0.07566021039 0.03064624634
|
|
1846 62 1604.70183 -295.204807 -295.0919271 0.001820643746 0.5297843394 0.05720549079 0.03055348833
|
|
1847 62 1604.70183 -295.2056422 -295.0923212 0.001827758618 0.5355035428 0.08758261141 0.03054338637
|
|
1848 62 1604.70183 -295.2059626 -295.0928299 0.001824721919 0.5401130703 0.05949483075 0.03049009024
|
|
1849 62 1604.70183 -295.2062009 -295.0932507 0.001821776549 0.5493673198 0.05423584132 0.03047836645
|
|
1850 62 1604.70183 -295.1209612 -294.981282 0.002252891456 0.8897996853 0.9234967041 0.04631741112
|
|
1851 62 1604.70183 -295.2065108 -295.0935197 0.001822437283 0.54608975 0.03621646964 0.03069436061
|
|
1852 62 1604.70183 -295.2068164 -295.0937106 0.001824287496 0.5427350597 0.04645181891 0.03111035478
|
|
1853 62 1604.70183 -295.206795 -295.0938805 0.001821201387 0.542289608 0.03076074258 0.03089061049
|
|
1854 62 1604.70183 -295.2067584 -295.093914 0.001820072237 0.5423513532 0.03399974318 0.03080694168
|
|
1855 62 1604.70183 -295.2065054 -295.0939969 0.001814654016 0.5431894835 0.02214248645 0.03079316353
|
|
1856 62 1604.70183 -295.2062055 -295.0940078 0.001809639985 0.5444393002 0.03072664822 0.03075298998
|
|
1857 62 1604.70183 -295.205989 -295.0940237 0.001805892068 0.5439592622 0.01965117363 0.03070060288
|
|
1858 62 1604.70183 -295.2058644 -295.0940064 0.001804160999 0.5438513129 0.02250610148 0.03064219726
|
|
1859 62 1604.70183 -295.13325 -295.0077715 0.002023846035 0.8068358492 0.6723254144 0.04044178823
|
|
1860 62 1604.70183 -295.1436331 -295.0284846 0.001857234389 0.7267919929 0.4990357282 0.03730438599
|
|
1861 62 1604.70183 -295.1525145 -295.0474413 0.001694729171 0.6685615954 0.5617965412 0.03668174015
|
|
1862 62 1604.70183 -295.1609362 -295.0650615 0.001546366017 0.6192067901 0.3763318358 0.03169583822
|
|
1863 62 1604.70183 -295.1686429 -295.0746943 0.00151529915 0.6225145556 0.4005004763 0.02822416942
|
|
1864 62 1604.70183 -295.1809286 -295.083709 0.001568057798 0.5558429155 0.1971474907 0.02853862703
|
|
1865 62 1604.70183 -295.1849742 -295.0842832 0.001624048373 0.5478533467 0.2301211223 0.02973137408
|
|
# vP.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1866 215 5415.868678 -1036.385715 -1036.518623 0.0006181733332 0.2431233829 0.1455333724 0.005585521055
|
|
1867 215 5415.868678 -1036.384949 -1036.524675 0.0006498895246 0.2141173893 0.04865629092 0.00529898731
|
|
1868 215 5415.868678 -1036.385733 -1036.519724 0.0006232139374 0.235014552 0.1182395714 0.00558028699
|
|
1869 215 5415.868678 -1036.385495 -1036.521456 0.0006323721406 0.2251511787 0.1204748543 0.005807924957
|
|
1870 215 5415.868678 -1036.385246 -1036.521815 0.0006352031266 0.225887845 0.1537923189 0.006003361061
|
|
1871 215 5415.868678 -1036.385015 -1036.522616 0.0006400020199 0.2255660556 0.1181713349 0.005730052687
|
|
1872 215 5415.868678 -1036.384202 -1036.523741 0.0006490150934 0.2372088591 0.09590202083 0.005383730036
|
|
1873 215 5415.868678 -1036.38431 -1036.524159 0.0006504598813 0.2337842778 0.06651800554 0.005128186479
|
|
1874 215 5415.868678 -1036.384343 -1036.524443 0.0006516260193 0.2332451848 0.06506700127 0.004942329637
|
|
1875 215 5415.868678 -1036.384694 -1036.524643 0.0006509222256 0.2225473259 0.03789590619 0.005057838722
|
|
# vv.xyz
|
|
config # atoms volume energy DFT energy energy error force DFT force force error
|
|
1876 214 5415.868678 -1030.597339 -1030.827092 0.00107361233 0.6568010127 0.3690492999 0.0163065602
|
|
1877 214 5415.868678 -1030.594629 -1030.831236 0.0011056399 0.6357552261 0.206246824 0.01610434446
|
|
1878 214 5415.868678 -1030.590721 -1030.832172 0.001128277401 0.6329388724 0.1753841469 0.01617119335
|
|
1879 214 5415.868678 -1030.586604 -1030.833731 0.001154798659 0.622831011 0.1305811393 0.01575711862
|
|
1880 214 5415.868678 -1030.574281 -1030.835231 0.001219390099 0.6058441093 0.1712622619 0.01462296559
|
|
1881 214 5415.868678 -1030.577119 -1030.835309 0.001206496713 0.6078344155 0.1384739781 0.0149084475
|
|
1882 214 5415.868678 -1030.573021 -1030.836422 0.001230843439 0.5944631515 0.08661607918 0.01427931238
|
|
1883 214 5415.868678 -1031.088359 -1031.461821 0.001745151303 1.034421614 0.2826455022 0.02606357092
|
|
1884 214 5415.868678 -1031.091064 -1031.465067 0.001747677127 0.9999048413 0.2065295166 0.02710925733
|
|
1885 214 5415.868678 -1031.094371 -1031.4678 0.00174499978 0.9485372815 0.2160317144 0.02943944547
|
|
1886 214 5415.868678 -1031.088638 -1031.470432 0.001784087942 0.9757776537 0.1228543654 0.02787463064
|
|
1887 214 5415.868678 -1031.081777 -1031.471654 0.001821852033 1.009792825 0.1258656337 0.026410081
|
|
1888 214 5415.868678 -1031.080586 -1031.472689 0.001832259675 0.9991562544 0.07554789307 0.02736556898
|
|
1889 214 5415.868678 -1031.078938 -1031.473011 0.00184146258 0.9907336313 0.110225689 0.02845759869
|
|
1890 214 5415.868678 -1031.07504 -1031.4736 0.001862430081 1.000961382 0.07186162854 0.02803213684
|
|
1891 214 5415.868678 -1030.690689 -1030.838186 0.0006892363267 0.7780571869 0.4067819182 0.01689825621
|
|
1892 214 5415.868678 -1030.690244 -1030.843044 0.0007140167877 0.7445713294 0.2451309087 0.01688677179
|
|
1893 214 5415.868678 -1030.687684 -1030.844175 0.0007312652947 0.7279686394 0.2296418926 0.01780386462
|
|
1894 214 5415.868678 -1030.684559 -1030.846722 0.00075777015 0.7177620911 0.1735900426 0.01718475276
|