# 128 H2O molecules (10 MD steps) # age commit (8n/12r/1t) (8n/6r/2t) (8n/4r/3t) (8n/3r/4t) (8n/2r/6t) (8n/1r/12t) 0 11a343 89.0 71.9 63.4 68.1 58.7 84.6 -5 7d74e2 85.5 68.8 59.8 63.7 55.8 80.7 -7 b10eef 84.9 70.8 61.8 65.7 56.3 81.1 -11 0a4d1b 86.4 72.5 60.1 64.6 54.4 78.6 -13 0afa15 86.3 69.8 60.3 64.5 54.7 82.7 -16 2de3de 85.5 71.4 60.2 64.5 55.4 80.5 -17 b5caab 94.8 69.0 58.9 63.9 54.5 79.2 -19 acd4b0 87.0 69.3 59.2 63.4 55.9 79.9 -21 19d2ef 84.7 68.9 59.5 63.9 55.2 79.0 -22 83ed01 84.1 67.9 61.5 62.6 55.2 80.4 -23 efbebd 84.1 68.4 59.7 63.5 54.6 79.7 -25 7c2627 87.2 70.1 61.3 66.5 59.3 83.9 -26 e3f64b 85.4 69.7 59.5 64.6 55.2 80.1 -29 67d2f8 85.5 68.4 58.9 63.2 54.8 78.0 -30 1525b0 84.1 69.2 60.4 63.1 54.0 79.7 -31 81d1c7 85.4 69.6 65.5 70.5 62.0 88.2 -33 c5411e 84.4 80.2 61.0 65.7 54.3 80.6 -35 ee725f 83.5 70.0 60.3 63.5 54.8 91.8 -36 be1f58 86.6 70.0 59.1 64.2 54.6 78.9 -39 984313 84.2 68.5 59.7 63.1 54.1 78.7 -41 3b1562 84.5 68.5 58.8 63.6 55.5 78.7 -42 1425fc 84.7 69.3 61.3 68.1 58.3 82.3 -46 20da4d 86.9 72.0 59.5 65.1 58.5 79.8 -48 e39d23 85.7 74.4 61.6 66.0 56.2 80.4 -52 374b73 84.7 69.8 63.7 68.7 54.0 81.4 -55 b1f098 84.2 69.5 59.3 64.1 54.0 79.0 -56 aeba16 84.8 71.4 60.4 65.8 56.5 80.9 -60 908860 87.0 72.7 61.4 65.3 55.7 81.2 -62 41b088 88.1 71.0 66.7 65.4 56.8 83.5 -66 3add49 86.3 75.0 59.9 64.7 56.0 80.2 -68 db3ef6 85.5 69.1 60.7 66.2 55.0 80.2 -71 6a2e66 83.3 68.5 58.6 62.8 54.2 79.0 -72 9dbea5 84.8 68.1 60.5 63.9 54.5 78.4 -77 34ef47 84.7 70.7 61.4 65.8 56.6 78.5 -78 632bbc 85.0 78.5 58.8 63.9 54.6 79.0 -81 b279b6 87.8 75.2 64.6 81.9 57.1 81.5 -85 adfb00 98.0 69.8 58.4 63.4 67.9 92.0 -86 1f285a 88.1 68.6 59.9 67.5 53.9 81.5 -87 b19582 84.0 69.0 60.9 64.6 55.9 93.6 -88 e7e05a 84.3 69.4 60.1 63.3 54.2 79.8 -90 1a2907 83.4 68.7 59.3 63.9 56.6 81.1 -91 e5fdd8 83.0 69.1 60.3 63.7 54.5 83.1 -93 b977e3 87.4 70.1 59.8 65.4 55.1 79.4 -94 10d586 85.9 68.7 60.8 65.4 55.7 79.3 -96 1b0cf2 86.5 69.7 59.7 68.7 55.4 79.8 -97 2ed94b 86.4 76.0 65.2 71.8 58.4 85.5 -99 f529a5 93.0 76.5 64.1 63.1 55.1 79.4 -101 58e3e0 86.6 74.4 58.5 64.9 57.0 81.4 -102 30f14b 84.8 71.5 63.2 65.3 56.6 79.9 -111 0de0cc 114.9 101.2 97.1 95.1 88.0 130.7 -113 330c21 112.4 84.6 76.0 73.8 69.3 93.2 -115 f7c187 87.6 73.3 67.9 71.0 60.0 87.8 -116 e3caab 89.2 75.1 68.5 87.2 60.6 85.8 -117 05e7fd 85.3 70.4 59.4 64.4 55.0 79.2 -119 ffcbeb 92.9 69.7 60.9 65.1 56.2 90.2 -120 0cb011 84.7 68.6 59.9 65.0 54.1 78.7 -123 aa4ada 85.2 69.8 60.3 63.6 53.6 81.5 -125 ae6dcb 86.6 72.0 65.3 68.9 64.3 88.5 -126 14aa9c 84.7 68.7 59.9 64.8 54.9 80.2 -127 4b070d 85.5 68.5 58.8 62.7 53.7 77.9 -128 5f6c7e 84.8 68.0 58.9 62.9 54.6 79.0 -129 cebb65 84.9 67.9 58.7 63.2 54.8 78.1 -135 ded727 84.1 73.0 63.4 73.5 61.1 82.1 -136 990486 83.6 67.6 57.8 62.3 53.4 78.0 -138 183cd1 83.9 68.5 58.2 62.5 53.9 77.7 -140 cdee4f 85.0 71.3 60.5 64.6 55.3 84.1 -142 220474 84.7 68.2 58.3 63.0 54.4 78.1 -143 dca71f 84.7 71.0 63.2 65.0 53.6 79.4 -144 083338 87.1 72.5 61.9 64.7 58.1 81.9 -145 dd7ddc 90.4 76.9 67.0 74.2 63.0 89.3 -147 9dbc35 92.2 75.3 66.0 65.2 56.0 81.3 -148 38a20d 88.3 70.7 61.7 64.9 57.8 82.4 -150 5d0137 84.2 69.1 60.0 64.0 57.0 81.7 -157 904d57 83.5 67.9 58.3 63.1 56.9 77.5 -158 45cb7b 83.5 67.9 66.2 63.5 53.7 83.0 -159 613b51 85.8 67.8 59.6 62.1 53.8 77.2 -163 541796 83.1 70.9 61.0 67.5 55.9 87.3 -164 0f4704 85.2 71.8 64.5 68.4 58.0 92.0 -170 9fa292 88.4 71.3 61.1 66.6 55.2 88.5 -171 47690d 94.7 101.4 71.5 72.8 69.3 87.9 -172 d3f223 82.8 69.1 60.3 66.4 55.8 87.1 -175 7d0f9b 87.3 73.0 59.9 66.8 54.9 87.2 -176 41a403 87.4 74.2 68.4 72.3 57.6 95.9 -177 728ff8 80.7 69.0 58.9 64.5 54.3 85.9 -179 7eeddb 81.6 69.9 61.6 66.2 55.0 88.6 -190 ac0226 81.5 68.6 60.1 65.8 55.7 88.0 -192 99544d 81.7 68.8 59.3 65.3 54.5 87.3 -193 38c209 88.3 78.3 59.4 67.1 61.2 89.0 -194 14e431 84.8 70.8 60.1 66.3 58.6 88.3 -196 26e599 82.1 68.9 61.8 66.8 56.5 89.9 -197 577b67 80.5 70.9 60.8 66.8 54.8 86.8 -204 1aa3ad 80.1 68.2 59.2 65.2 54.8 89.6 -228 54edd9 81.9 70.2 61.3 66.9 54.8 87.4 -234 75a566 80.6 69.1 59.2 65.1 54.7 88.1 -243 48d369 83.7 69.3 59.9 65.8 55.5 89.5 -244 644f5a 82.9 68.2 59.5 65.3 54.8 87.3 -245 8485e0 83.4 71.8 61.9 68.6 57.7 90.2 -247 9e76ba 83.2 69.2 60.8 67.5 55.0 88.3 -248 96ef31 87.5 74.3 60.8 70.0 57.8 88.6 -250 c5db04 80.0 68.3 59.4 66.3 55.8 89.3 -251 38b08a 84.9 71.3 60.3 66.6 56.5 89.1 -253 090414 84.0 68.6 61.3 66.6 56.2 90.0 -255 c07896 82.2 68.6 62.4 65.8 55.2 89.3 -259 bf6c9a 85.6 68.4 60.6 70.0 55.3 88.3 -260 ad61d0 83.6 69.3 61.1 67.0 56.9 89.0 -261 d8a418 88.7 76.0 69.3 71.7 62.7 96.0 -263 fdb0e7 84.8 69.3 61.1 66.8 57.1 89.5 -264 7123f6 90.4 75.3 62.1 69.5 60.1 89.4 -266 9dc685 81.3 70.5 61.1 66.2 55.9 92.1 -268 2b6ea5 82.0 68.9 62.2 67.2 56.5 89.7 -273 6157ca 82.5 68.7 59.6 66.4 57.2 88.9 -275 4955cf 89.4 69.9 60.8 66.4 56.8 91.0 -279 c75b50 80.9 68.5 59.5 65.5 55.2 87.8 -300 03c4f5 81.4 68.6 59.8 64.9 54.8 86.7 -309 668fef 81.7 68.4 60.2 66.3 57.3 90.2 -311 f5d781 86.7 72.4 63.0 73.7 59.9 94.9 -312 b26301 83.4 72.0 62.3 66.9 56.3 91.0 -317 845a3a 82.3 69.4 60.8 65.5 62.1 98.1 -318 443e0b 83.6 69.7 60.3 70.1 58.6 92.0 -323 bbd14a 94.3 78.1 61.3 66.5 56.7 89.5 -327 662b2c 89.8 70.8 65.0 65.8 54.8 89.6 -328 183bfa 83.6 68.9 59.2 65.8 54.7 87.4 -329 65a7a0 82.0 68.3 60.3 65.4 55.3 86.8 -337 39fc2f 81.6 69.2 60.5 66.4 54.7 86.9 -340 e1b64e 82.0 68.7 59.3 66.2 55.7 87.9 -341 79e602 86.0 72.0 61.8 65.8 58.1 90.3 -346 225305 83.9 68.3 59.3 65.3 55.3 87.2 -347 9e2311 81.5 68.9 60.1 65.2 57.9 88.0 -349 eb5c80 82.2 68.7 60.3 65.5 55.4 88.5 -351 c07490 88.2 75.6 65.8 66.3 61.8 93.7 -354 e3caab 81.7 68.0 59.1 65.0 54.5 87.1 -356 1df119 80.9 68.0 59.2 65.3 54.7 86.6 -357 ac71c1 80.3 69.0 59.7 65.6 55.3 85.9 -358 14576f 82.4 68.9 60.1 66.9 57.5 88.6 -360 164be7 85.1 72.7 63.8 67.1 55.5 88.3 -361 44ddd7 82.5 68.5 59.7 65.7 55.6 86.9 -363 a01af1 81.5 70.1 61.2 65.9 54.5 87.4 -366 1e070e 81.8 68.9 60.1 65.7 57.0 87.6 -368 aecd33 83.6 69.9 61.8 67.0 55.7 87.7 -370 1eb99f 81.3 68.6 63.6 67.1 56.0 88.6 -373 15d066 83.1 69.3 60.7 67.5 56.3 88.3 -377 274655 115.3 97.9 67.9 74.7 62.7 89.4 -379 667ecb 81.9 70.0 61.8 66.2 58.6 90.1 -382 2e9ae7 87.7 70.2 61.0 67.1 56.3 87.2 -383 c03a13 85.7 76.4 67.5 73.3 60.4 90.2 -386 61cc8b 87.6 77.9 68.8 73.0 60.9 93.2 -388 b1e573 80.7 69.6 60.6 64.9 54.3 86.6 -415 305ec3 81.1 68.8 60.2 65.4 54.8 86.7 -424 6b9457 82.3 68.8 60.1 65.4 55.7 86.1 -425 d5cf19 122.4 113.0 100.1 119.8 114.8 126.0 -426 cd9392 81.6 68.8 59.4 65.7 55.5 87.0 -427 0735bf 79.1 68.3 58.9 66.5 55.0 86.8 -428 5db0f8 81.0 69.6 60.2 65.7 54.8 86.7 -429 737e74 79.2 68.6 60.1 65.9 54.8 86.4 -434 27cc8e 77.9 68.0 59.4 64.9 54.6 86.0 -435 53a226 83.5 67.9 59.2 64.9 54.6 86.6 -437 19fdd6 82.2 69.1 59.7 65.6 55.3 86.4 -439 9a6ee7 81.6 69.4 61.0 67.0 59.7 87.1 -441 1e516d 82.7 71.1 60.1 67.4 54.4 87.3 -446 7c9085 84.2 72.1 61.8 68.8 58.6 87.1 -447 baebec 83.3 72.6 60.8 67.0 57.6 91.3 -448 3c55af 85.7 73.8 63.6 121.7 62.8 154.8 -451 e4f557 82.9 111.5 60.0 67.2 56.4 90.1 -452 263bc5 80.1 120.4 103.7 109.3 93.8 134.6 -453 04dd42 86.7 71.1 62.4 66.3 56.0 88.9 -454 c94756 82.8 90.6 63.5 68.9 81.7 91.3 -456 2bd831 81.4 73.2 64.0 67.9 56.7 91.2 -457 dfc565 83.2 71.1 61.5 67.9 57.7 95.5 -461 6a2264 80.1 69.8 59.2 76.8 62.7 87.1 -462 663691 101.7 92.1 83.5 89.6 76.5 110.7 -464 aacccc 94.8 80.6 62.5 66.5 58.8 90.6 -465 00bd37 82.4 69.7 60.4 66.6 57.0 88.3 -467 7e52d8 94.1 79.8 61.1 78.6 66.2 97.5 -475 113f45 114.8 105.0 97.4 95.2 80.5 120.6 -480 e42899 87.1 72.5 63.3 69.0 58.5 90.3 -483 3bcd6e 88.0 74.0 67.0 75.7 59.1 95.2 -484 a72b41 85.5 71.1 62.5 69.3 57.1 95.8 -485 185b7b 89.6 79.7 68.7 68.7 64.0 88.8 -487 b75a78 83.5 69.3 60.6 65.6 55.2 87.0 -489 5cf5c9 81.9 68.9 60.6 67.3 56.1 87.6 -490 edf7f2 83.6 71.5 60.3 70.4 64.4 90.1 -491 f67586 92.2 79.6 71.0 74.2 61.6 94.6 -494 ad1d17 91.5 78.7 73.9 66.2 60.9 95.7 -500 c08aeb 80.8 68.6 59.8 65.1 54.6 86.3 -506 cd366a 82.2 140.5 61.4 67.8 56.0 86.7 -508 992aa9 81.2 68.3 60.3 65.2 54.4 86.6 -511 069eaf 84.9 73.2 66.7 72.1 59.3 91.4 -513 48569e 80.8 68.9 59.5 65.4 54.7 87.8 -515 b3253c 84.4 71.5 62.4 67.4 59.0 88.3 -516 1ba8f6 99.2 80.1 64.9 76.7 65.8 97.2 -518 e709bc 82.2 68.6 59.2 65.4 54.7 86.1 -519 627b89 82.5 69.8 60.7 66.0 54.8 87.0 -524 5b0409 81.8 68.7 60.2 66.2 54.6 86.6 -525 508015 83.0 70.1 60.2 69.1 56.5 87.5 -527 8ce3b6 82.7 71.4 63.2 67.4 57.9 89.9 -529 d6c37d 100.0 92.1 62.0 68.9 58.8 92.5 -530 b331c5 83.5 69.8 60.5 66.7 55.5 88.2 -533 dfc25f 85.0 69.4 60.3 66.2 56.0 94.0 -538 3b5800 84.0 73.6 62.1 67.3 56.1 89.5 -541 d1376d 83.9 88.5 78.9 82.8 71.4 104.6 -543 edd451 83.6 71.8 65.2 70.4 60.6 96.0 -544 1668dc 115.1 70.6 61.1 66.2 73.7 88.2 -558 2adf4d 82.8 71.6 63.7 68.8 57.4 90.3 -559 aa9217 81.9 71.2 61.3 67.9 56.0 87.8 -562 f008f6 84.5 70.0 62.0 67.8 57.6 90.3 -565 72113d 84.1 70.7 60.7 66.9 56.2 90.0 -569 ebf5b8 82.6 70.2 61.4 67.1 55.8 89.7 -575 75b52d 85.2 74.8 62.6 69.2 57.2 91.6 -577 bf5cdd 80.7 68.8 59.9 66.0 55.2 88.4 -580 65cca6 82.5 69.2 60.4 65.5 56.1 88.4 -581 18d5c6 83.4 70.8 63.2 69.7 56.6 90.8 -583 b8a113 81.7 68.9 60.1 66.2 55.3 90.9 -586 f3ef42 82.1 69.0 59.9 66.4 55.3 87.6 -588 ed124d 82.1 69.6 60.4 66.9 56.9 88.3 -590 fbf0cb 80.5 69.1 60.5 65.8 56.3 87.3 -591 a7c7cb 82.5 69.6 59.8 65.0 55.6 88.0 -592 e112af 84.9 74.4 62.9 67.6 59.8 88.1 -593 a35736 84.6 72.0 62.9 65.2 59.2 89.0 -595 1501a5 88.8 73.7 65.1 69.7 60.0 94.7 -596 72e1b4 93.5 74.6 75.7 75.8 66.1 97.3 -598 bd8365 90.6 79.9 71.1 70.6 56.6 93.7 -621 08caac 88.6 72.0 62.4 68.1 63.3 96.5 -622 6ad6ea 93.2 79.8 68.4 73.7 64.7 95.5 -623 b26197 83.9 74.9 67.3 72.7 56.9 94.1 -624 a6796a 89.1 79.9 65.9 71.6 56.9 87.5 -625 7e92e2 98.5 70.8 63.6 78.5 56.0 88.8 -626 186428 98.1 93.1 71.8 75.5 69.3 100.8 -629 c60ebb 82.3 70.5 63.1 67.7 58.9 87.4 -632 4047e1 82.3 74.5 59.9 72.3 56.0 89.0 -633 e790da 90.4 77.0 62.4 67.5 63.3 89.4 -634 7c12bb 88.4 76.4 68.1 71.3 61.5 95.4 -639 6a8d3c 95.3 86.5 62.6 77.9 69.3 90.2 -641 03f49e 83.5 123.2 111.0 118.6 103.4 152.1 -642 fe1068 81.8 79.9 65.3 70.1 59.2 100.2 -644 d0ac4d 83.3 70.7 62.4 68.0 56.0 99.0 -649 4dc27d 91.8 88.4 75.4 83.2 74.7 105.7 -653 b314df 82.2 75.3 63.6 67.5 55.1 108.1 -656 6acae2 82.5 72.3 61.6 67.2 59.2 87.6 -658 a11bcb 88.2 75.7 66.4 66.4 56.5 94.5 -661 d6d429 80.3 68.1 59.2 65.1 54.5 87.5 -664 a8a26f 80.6 69.0 59.8 64.8 54.9 88.0 -669 65f557 94.2 73.4 63.0 80.1 55.6 90.2 -676 b823aa 82.5 68.6 60.8 64.1 54.6 87.3 -681 b0e0e4 82.6 68.8 65.8 65.0 54.5 92.4 -683 7bc86a 85.9 73.1 63.9 68.8 57.6 92.5 -684 d16849 81.7 69.2 60.6 66.6 54.9 88.2 -688 859ad7 82.2 70.3 60.8 69.0 55.4 87.8 -706 e0ef5d 120.6 106.8 182.9 157.9 142.3 185.8 -709 cdd1f4 85.6 79.0 62.8 67.2 57.5 88.4 -714 7d51e9 80.6 68.4 59.1 64.3 55.1 86.3 -715 e162f2 82.1 69.9 59.9 65.0 54.9 86.4 -717 5dafbb 81.8 69.5 61.9 66.2 55.2 87.5 -719 4aed5d 80.8 69.0 60.5 65.1 55.2 86.5 -720 784694 80.9 68.2 59.3 64.4 54.4 86.3 -721 84b2f9 81.3 68.3 59.3 64.2 54.7 87.0 -723 d05723 80.8 68.6 59.3 64.2 54.6 90.2 -726 e08f4c 80.6 76.4 60.1 65.2 62.8 86.8 -728 00a3bc 81.1 68.4 59.7 64.8 54.4 86.5 -738 1fa64e 82.5 69.5 59.7 64.7 55.0 87.5 -744 04dd58 80.7 69.2 61.1 64.5 54.8 87.0 -745 274606 81.3 68.3 60.4 65.0 54.6 86.1 -747 b57c5e 82.7 69.0 63.2 67.3 55.5 88.5 -749 b23449 81.3 69.3 59.3 65.3 54.7 87.1 -750 a5f008 86.3 75.9 64.9 72.3 60.7 94.5 -755 ef71e3 82.9 71.2 62.5 68.7 57.1 90.5 -758 77ac92 96.3 73.7 69.3 73.7 63.0 94.7 -760 37c9bd 80.4 68.9 59.7 67.0 62.8 106.1 -761 dc34ec 85.3 77.5 74.1 68.6 58.3 89.3 -763 d4020a 88.4 75.6 67.1 72.1 61.2 95.5 -764 7f090f 86.3 74.2 60.4 65.6 57.8 87.3 -765 5e5e63 81.0 70.4 66.9 65.3 55.8 88.6 -770 97946b 83.1 69.5 60.1 65.3 65.0 99.8 -772 0165da 94.6 84.2 59.9 64.7 55.3 87.7 -784 09e230 96.5 87.3 62.4 68.6 56.9 88.1 -786 b22e23 117.1 89.0 63.7 68.4 83.6 106.6 -789 c9dfd2 85.4 75.4 72.4 70.9 60.7 108.3 -793 ea454b 103.8 89.6 66.9 66.8 69.2 102.8 -795 8dec69 112.6 73.3 84.4 83.5 76.3 92.0 -796 b90168 83.0 73.6 63.3 68.9 58.6 94.1 -797 9bf2b2 92.2 70.3 66.1 72.1 65.6 101.2 -801 0716bb 83.1 71.8 62.7 67.6 56.5 90.3 -802 a5f7df 92.5 76.0 61.6 66.3 58.5 90.5 -805 e19d49 117.6 107.1 63.6 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