Wed Jul 16 23:22:40 EDT 2014 materials/unit_bicrystals/s3022/2nd_5_6_7/2_40 =============================================== 29.9999996104660 76 atoms .2364088360 -13.2062 12.8313 0.775986 8.45085 -1.675 1.675 -12.7884 12.4135 0.584713 8.64212 -1.675 1.675 Coordinations ------------- 3: 76 materials/unit_bicrystals/s3022/1st_575/2_16_corrected ======================================================= 29.9999996104660 80 atoms .2248880484 -13.2413 12.5937 0.250845 8.45085 -1.675 1.675 -13.6202 12.9726 0.351953 8.34974 -1.675 1.675 Coordinations ------------- 3: 78 4: 2 materials/unit_bicrystals/s5353/2nd_7566675675_6576576665/0_05 =============================================================== 16.4264209463696 144 atoms .1223514888 -11.3643 11.6043 -0.364286 17.72 -1.675 1.675 -10.9116 11.1516 0.0175842 17.3381 -1.675 1.675 Coordinations ------------- 3: 144 materials/unit_bicrystals/s5353/1st_7566756675_6576767665/2_03 =============================================================== 16.4264209463696 148 atoms .1074165038 -11.9058 11.9058 -0.324286 17.72 -1.675 1.675 -11.3106 11.3106 0.0257202 17.37 -1.675 1.675 Coordinations ------------- 3: 148 materials/unit_bicrystals/s5353/3rd_7566756675_5766576657/1_17 =============================================================== 16.4264209463696 144 atoms .1069330200 -11.5143 11.7543 -0.39 17.72 -1.675 1.675 -10.8741 11.1141 -0.0142345 17.3442 -1.675 1.675 Coordinations ------------- 3: 144 materials/unit_bicrystals/s2121/1st/0_03 ========================================= 21.7867886919892 136 atoms .0791855916 -13.9256 13.9256 -0.5 13.5171 -1.675 1.675 -13.7479 13.7479 -0.0377257 13.0548 -1.675 1.675 Coordinations ------------- 3: 136 materials/unit_bicrystals/s2121/1st_longer/1_05 ================================================ 21.7867886919892 56 atoms .0959635307 -11.4836 11.4836 -0.5 7.00855 -1.675 1.675 -11.3303 11.3303 -0.0217869 6.53033 -1.675 1.675 Coordinations ------------- 3: 56 materials/unit_bicrystals/s2121/2nd/1_05 ========================================= 21.7867886919892 72 atoms .0747735701 -14.664 14.664 -0.5 7.00855 -1.675 1.675 -14.5528 14.5528 -0.0181773 6.52673 -1.675 1.675 Coordinations ------------- 3: 72 materials/unit_bicrystals/s2121/2nd_shorter/1_05 ================================================= 21.7867886919892 48 atoms .1108699055 -9.92836 9.92836 -0.5 7.00855 -1.675 1.675 -9.71339 9.71339 -0.0254484 6.534 -1.675 1.675 Coordinations ------------- 3: 48 materials/unit_bicrystals/s5033/4th/2_04_corrected =================================================== 29.9999996104660 124 atoms .1479295959 -12.7333 12.9746 -0.5 12.7495 -1.675 1.675 -13.0693 13.3106 -0.143334 12.3929 -1.675 1.675 Coordinations ------------- 2: 1 3: 120 4: 3 materials/unit_bicrystals/s5033/5th/2_30 ========================================= 29.9999996104660 124 atoms .1873791063 -12.7333 12.9746 -0.5 12.3445 -1.675 1.675 -12.9756 13.217 -0.381808 12.2263 -1.675 1.675 Coordinations ------------- 3: 116 4: 8 materials/unit_bicrystals/s5033/2nd_crazy1/2_16_corrected ========================================================== 29.9999996104660 124 atoms .1873789172 -12.7333 12.9746 -0.5 12.3445 -1.675 1.675 -12.9756 13.217 -0.381851 12.2264 -1.675 1.675 Coordinations ------------- 3: 116 4: 8 materials/unit_bicrystals/s5033/3rd_crazy3/2_13_corrected ========================================================== 29.9999996104660 124 atoms .2231438927 -12.7333 12.9746 -0.5 12.7202 -1.675 1.675 -12.9243 13.1657 -0.207705 12.4279 -1.675 1.675 Coordinations ------------- 3: 114 4: 10 materials/unit_bicrystals/s5033/1st_575557_575557/2_11 ======================================================= 29.9999996104660 126 atoms .1550280845 -12.7333 12.9746 -0.5 12.5578 -1.675 1.675 -13.1759 13.4173 -0.267287 12.3251 -1.675 1.675 Coordinations ------------- 3: 124 4: 2 materials/unit_bicrystals/s3140/2_16 ===================================== 46.1021129143699 96 atoms .1368390086 -12.3639 14.7528 -0.5 9.85483 -1.675 1.675 -12.2126 14.6015 -0.0760321 9.43086 -1.675 1.675 Coordinations ------------- 3: 96 materials/unit_bicrystals/s3030/6th_44_4/2_07_corrected ======================================================== 59.9999992209320 75 atoms .3600944804 -14.0028 12.2927 -0.5 6.67 -1.675 1.675 -14.1773 12.4671 -0.669013 6.83901 -1.675 1.675 Coordinations ------------- 3: 60 4: 15 materials/unit_bicrystals/s3030/4th_10_10/0_00_corrected ========================================================= 59.9999992209320 72 atoms .3311388864 -13.2028 13.2825 -0.5 6.65 -1.675 1.675 -13.208 13.2877 -0.686816 6.83682 -1.675 1.675 Coordinations ------------- 2: 12 3: 60 materials/unit_bicrystals/s3030/9th_44_0/2_07_corrected ======================================================== 59.9999992209320 66 atoms .2419603750 -14.0028 9.45211 -0.5 6.67 -1.675 1.675 -13.9694 9.41866 -0.652527 6.82253 -1.675 1.675 Coordinations ------------- 3: 60 4: 6 materials/unit_bicrystals/s3030/7th_10_44/1_00_corrected ========================================================= 59.9999992209320 72 atoms .3779160099 -13.613 12.0623 -0.5 6.65 -1.675 1.675 -13.8105 12.2598 -0.66636 6.81636 -1.675 1.675 Coordinations ------------- 2: 6 3: 60 4: 6 materials/unit_bicrystals/s3030/1st_8_8/2_09_corrected ======================================================= 59.9999992209320 66 atoms .1584660641 -10.6521 12.7825 -0.5 7.73 -1.675 1.675 -11.0003 13.1307 -0.0674323 7.29743 -1.675 1.675 Coordinations ------------- 2: 2 3: 64 materials/unit_bicrystals/s3030/8th_4_0/2_07_corrected ======================================================= 59.9999992209320 57 atoms .1964986482 -10.6521 9.23183 -0.5 6.67 -1.675 1.675 -10.8531 9.43278 -0.644309 6.81431 -1.675 1.675 Coordinations ------------- 3: 48 4: 9 materials/unit_bicrystals/s3030/11th_0_0/2_02_corrected ======================================================== 59.9999992209320 60 atoms -.0000107411 -10.4521 10.1623 -0.5 7.71 -1.675 1.675 -10.8102 10.5203 -0.089524 7.29952 -1.675 1.675 Coordinations ------------- 3: 60 materials/unit_bicrystals/s3030/3rd_8_0/1_01_corrected ======================================================= 59.9999992209320 57 atoms .1488191968 -10.6521 9.23183 -0.5 7.18 -1.675 1.675 -11.0155 9.59524 -0.347055 7.02706 -1.675 1.675 Coordinations ------------- 2: 3 3: 54 materials/unit_bicrystals/s3030/5th_44_44/2_07_corrected ========================================================= 59.9999992209320 60 atoms .5261023327 -10.4521 10.1623 -0.5 6.67 -1.675 1.675 -10.7711 10.4812 -0.69055 6.86055 -1.675 1.675 Coordinations ------------- 3: 48 4: 12 materials/unit_bicrystals/s3030/10th_10_0/1_00_corrected ========================================================= 59.9999992209320 66 atoms .1710907773 -13.613 9.93183 -0.5 6.65 -1.675 1.675 -13.8423 10.1612 -0.624621 6.77462 -1.675 1.675 Coordinations ------------- 2: 6 3: 60 materials/unit_bicrystals/s5151/1st_57576657_67575667/2_03 =========================================================== 42.1034476991107 116 atoms .1276449700 -11.6693 11.6693 -0.5 14.0222 -1.675 1.675 -11.1558 11.1558 -0.143627 13.6658 -1.675 1.675 Coordinations ------------- 3: 116 materials/unit_bicrystals/s5151/1st_longer/1_04 ================================================ 42.1034476991107 120 atoms .1257120470 -12.0359 12.0359 -0.5 14.0822 -1.675 1.675 -11.5386 11.5386 -0.11358 13.6958 -1.675 1.675 Coordinations ------------- 3: 120 materials/unit_bicrystals/s5151/6th_57576657_75667575/1_25 =========================================================== 42.1034476991107 104 atoms .3348287501 -10.4966 10.4966 -0.5 14.0679 -1.675 1.675 -10.1563 10.1563 -0.116284 13.6842 -1.675 1.675 Coordinations ------------- 2: 2 3: 96 4: 6 materials/unit_bicrystals/s5151/2nd_57576657_67567567/2_24 =========================================================== 42.1034476991107 114 atoms .1287601506 -11.6693 11.5418 -0.5 14.1261 -1.675 1.675 -11.0418 10.9142 -0.084306 13.7104 -1.675 1.675 Coordinations ------------- 3: 114 materials/unit_bicrystals/s5151/5th_57657657_75675675/0_14 =========================================================== 42.1034476991107 96 atoms .1972062190 -10.1966 9.43134 -0.5 14.0097 -1.675 1.675 -9.70131 8.93604 -0.128242 13.638 -1.675 1.675 Coordinations ------------- 2: 1 3: 94 4: 1 materials/unit_bicrystals/s5151/2nd_shorter/1_05 ================================================= 42.1034476991107 104 atoms .1470393284 -10.5206 10.5206 -0.5 14.164 -1.675 1.675 -10.0317 10.0317 -0.0640778 13.7281 -1.675 1.675 Coordinations ------------- 3: 104 materials/unit_bicrystals/s5151/3rd_57576657_75675675/1_03 =========================================================== 42.1034476991107 104 atoms .1470392938 -10.4966 10.4966 -0.5 14.0222 -1.675 1.675 -10.0318 10.0318 -0.135023 13.6572 -1.675 1.675 Coordinations ------------- 3: 104 materials/unit_bicrystals/s2011/1st_5_7/2_10 ============================================= 29.9999996104660 88 atoms .1826564348 -11.6263 12.9514 -0.5 9.27127 -1.675 1.675 -11.9666 13.2917 -0.272531 9.0438 -1.675 1.675 Coordinations ------------- 3: 88 materials/unit_bicrystals/s6161/5th_575766657_675756667/2_01 ============================================================= 44.8218198147694 192 atoms .1225194409 -16.1834 16.614 -0.43728 16.5064 -1.675 1.675 -15.5012 15.9318 -0.0633478 16.1325 -1.675 1.675 Coordinations ------------- 3: 188 4: 4 materials/unit_bicrystals/s6161/4th_576576657_675675557/1_03 ============================================================= 44.8218198147694 192 atoms .0854386100 -16.0334 16.2474 -0.499414 16.4443 -1.675 1.675 -15.5535 15.7675 -0.137266 16.0822 -1.675 1.675 Coordinations ------------- 3: 192 materials/unit_bicrystals/s6161/1st_5757666_7575666/2_03 ========================================================= 44.8218198147694 196 atoms .0961511442 -16.614 16.614 -0.499414 16.4443 -1.675 1.675 -15.9815 15.9815 -0.143851 16.0887 -1.675 1.675 Coordinations ------------- 3: 196 materials/unit_bicrystals/s6161/2_33 ===================================== 44.8218198147694 192 atoms .1194288124 -16.1834 16.614 -0.493555 16.4502 -1.675 1.675 -15.5534 15.7674 -0.00712855 16.2123 -1.675 1.675 Coordinations ------------- 3: 192 materials/unit_bicrystals/s6161/6th_576576657_675675667/2_04 ============================================================= 44.8218198147694 193 atoms .0991484881 -16.1834 16.614 -0.436694 16.507 -1.675 1.675 -15.5754 16.006 -0.0535607 16.1239 -1.675 1.675 Coordinations ------------- 3: 192 4: 1 materials/unit_bicrystals/s6161/3rd_575766657_66757566/2_31 ============================================================ 44.8218198147694 192 atoms .1404756288 -16.514 16.1891 -0.431421 16.5123 -1.675 1.675 -15.8883 15.5634 -0.0620632 16.1429 -1.675 1.675 Coordinations ------------- 2: 1 3: 190 4: 1 materials/unit_bicrystals/s6161/2nd_576576657_667567566/1_31 ============================================================= 44.8218198147694 189 atoms .1083734806 -16.414 15.7642 -0.431421 16.5123 -1.675 1.675 -15.8707 15.221 -0.0102227 16.0911 -1.675 1.675 Coordinations ------------- 3: 188 4: 1 materials/unit_bicrystals/s6161/7th/2_29 ========================================= 44.8218198147694 192 atoms .0854386102 -16.1834 16.3974 -0.369287 16.5744 -1.675 1.675 -15.5534 15.7674 -0.00712855 16.2123 -1.675 1.675 Coordinations ------------- 3: 192 materials/unit_bicrystals/s3333/1st_perfect/2_03_corrected =========================================================== 0000000000000000E+000 144 atoms -.0000070746 -14.66 14.66 -0.5 12.6028 -1.675 1.675 -14.7779 14.7779 -0.347693 12.4505 -1.675 1.675 Coordinations ------------- 3: 144 materials/unit_bicrystals/s3232/4th_may_be_unstable/1_16 ========================================================= 13.1735507406715 184 atoms .2977606640 -11.8885 11.7256 -0.5 21.9458 -1.675 1.675 -11.4556 11.2927 -0.132139 21.5779 -1.675 1.675 Coordinations ------------- 2: 4 3: 168 4: 12 materials/unit_bicrystals/s3232/7th_75666_76665/0_00 ===================================================== 13.1735507406715 88 atoms .1357554347 -10.7609 11.9885 -0.5 11.2229 -1.675 1.675 -10.3838 11.6115 0.0261016 10.6968 -1.675 1.675 Coordinations ------------- 3: 88 materials/unit_bicrystals/s3232/6th_may_be_not_stable/2_16 =========================================================== 13.1735507406715 184 atoms .2664794549 -11.7885 11.6256 -0.5 21.9458 -1.675 1.675 -11.5491 11.3862 -0.037703 21.4835 -1.675 1.675 Coordinations ------------- 2: 3 3: 172 4: 9 materials/unit_bicrystals/s3232/3rd_56755_57655/0_16 ===================================================== 13.1735507406715 94 atoms .1998383214 -11.9885 11.9885 -0.5 11.2229 -1.675 1.675 -11.7157 11.7157 0.0287272 10.6942 -1.675 1.675 Coordinations ------------- 3: 92 4: 2 materials/unit_bicrystals/s3232/1st_75666_66657/2_17 ===================================================== 13.1735507406715 96 atoms .1021127237 -12.2885 12.2885 -0.5 11.2229 -1.675 1.675 -11.7964 11.7964 -0.0277893 10.7507 -1.675 1.675 Coordinations ------------- 3: 96 materials/unit_bicrystals/s3232/1st_longer/0_03 ================================================ 13.1735507406715 92 atoms .1019097159 -11.7346 11.7346 -0.5 11.2229 -1.675 1.675 -11.2809 11.2809 -0.0385791 10.7615 -1.675 1.675 Coordinations ------------- 3: 92 materials/unit_bicrystals/s3232/2nd_75666_65766/0_08 ===================================================== 13.1735507406715 92 atoms .1019095901 -11.9885 11.4998 -0.5 11.2229 -1.675 1.675 -11.5253 11.0365 -0.0386068 10.7615 -1.675 1.675 Coordinations ------------- 3: 92 materials/unit_bicrystals/s3232/9th_may_be_not_stable/2_03 =========================================================== 13.1735507406715 82 atoms .2302060731 -10.5609 10.5609 -0.5 11.2229 -1.675 1.675 -10.2622 10.2622 0.038926 10.684 -1.675 1.675 Coordinations ------------- 3: 80 4: 2 materials/unit_bicrystals/s3232/5th_75666_76665/2_00 ===================================================== 13.1735507406715 176 atoms .1089269251 -11.7885 10.811 -0.5 21.9458 -1.675 1.675 -11.2851 10.3076 -0.0770625 21.5228 -1.675 1.675 Coordinations ------------- 3: 176 materials/unit_bicrystals/s3232/11h_7566666_6666657/2_19 ========================================================= 943000764548256 296 atoms .0876397318 -13.6427 13.6427 -0.5 30.4272 -1.675 1.675 -13.0292 13.0292 -0.0546061 29.9818 -1.675 1.675 Coordinations ------------- 3: 296 materials/unit_bicrystals/s3232/10th_75666_57666/2_05 ====================================================== 13.1735507406715 80 atoms .1879877053 -10.5609 10.235 -0.5 11.2229 -1.675 1.675 -10.1764 9.85055 -0.00945239 10.7323 -1.675 1.675 Coordinations ------------- 2: 2 3: 78 materials/unit_bicrystals/s3232/1_05 ===================================== 13.1735507406715 82 atoms 3.4189498698 -6.10211 6.59086 -0.5 10.9803 -1.675 1.675 -10.2622 10.2622 0.038926 10.684 -1.675 1.675 Coordinations ------------- 3: 80 4: 2 materials/unit_bicrystals/s3232/2nd_shorter/1_05 ================================================= 13.1735507406715 80 atoms .1131988781 -10.22 10.22 -0.5 11.2229 -1.675 1.675 -9.7894 9.7894 -0.0533753 10.7763 -1.675 1.675 Coordinations ------------- 3: 80 materials/unit_bicrystals/s3232/8th_75666_66576/0_03 ===================================================== 13.1735507406715 84 atoms .1176891378 -10.7609 10.7609 -0.5 11.2229 -1.675 1.675 -10.3366 10.3366 -0.0283123 10.7512 -1.675 1.675 Coordinations ------------- 3: 84 materials/unit_bicrystals/s4141/1st_longer/1_03 ================================================ 38.2132096383588 100 atoms .1086470066 -11.9426 11.9426 -0.5 11.6152 -1.675 1.675 -11.6957 11.6957 -0.117748 11.2329 -1.675 1.675 Coordinations ------------- 3: 100 materials/unit_bicrystals/s4141/2nd_5757657_6757567/1_09 ========================================================= 38.2132096383588 96 atoms .1612004952 -11.8776 11.4127 -0.5 11.5047 -1.675 1.675 -11.4926 11.0277 -0.189071 11.1938 -1.675 1.675 Coordinations ------------- 2: 2 3: 94 materials/unit_bicrystals/s4141/code/0_12 ========================================== 46.1021129143699 527 atoms .1728033541 -20.3397 19.8129 -0.5 35.4593 -1.675 1.675 -20.3334 19.8066 -0.071296 35.0306 -1.675 1.675 Coordinations ------------- 2: 15 3: 498 4: 12 5: 2 materials/unit_bicrystals/s4141/1st_5757657_7567575/1_04 ========================================================= 38.2132096383588 108 atoms .1011652871 -12.9925 12.9925 -0.5 11.5047 -1.675 1.675 -12.6323 12.6323 -0.168816 11.1735 -1.675 1.675 Coordinations ------------- 3: 108 materials/unit_bicrystals/s4141/2nd_shorter/1_03 ================================================= 38.2132096383588 84 atoms .1281508401 -10.0628 10.0628 -0.5 11.6152 -1.675 1.675 -9.83724 9.83724 -0.121452 11.2366 -1.675 1.675 Coordinations ------------- 3: 84 materials/unit_bicrystals/s4141/3rd_5757657_7575675/2_03 ========================================================= 38.2132096383588 100 atoms .1086486215 -12.0976 12.0976 -0.5 11.6152 -1.675 1.675 -11.6957 11.6957 -0.117773 11.2329 -1.675 1.675 Coordinations ------------- 3: 100 materials/unit_bicrystals/s5454/1st_longer/1_06 ================================================ 734099281234848 168 atoms .0937550482 -12.1837 12.1837 -0.5 19.6005 -1.675 1.675 -11.5418 11.5418 -0.0759294 19.1765 -1.675 1.675 Coordinations ------------- 3: 168 materials/unit_bicrystals/s5454/2nd_shorter/1_06 ================================================= 734099281234848 136 atoms .1326173890 -9.99259 9.99259 -0.455205 19.6005 -1.675 1.675 -9.36257 9.36257 -0.0578348 19.2032 -1.675 1.675 Coordinations ------------- 3: 136 materials/unit_bicrystals/s5252/4th_575756757_575757657/1_18 ============================================================= 27.7957717225401 132 atoms .1346807857 -11.9639 11.9639 -0.439949 15.8627 -1.675 1.675 -11.3729 11.3729 -0.0209367 15.4437 -1.675 1.675 Coordinations ------------- 2: 1 3: 130 4: 1 materials/unit_bicrystals/s5252/5th_756757575_7576575757/1_22 ============================================================== 27.7957717225401 132 atoms .1038443564 -11.9639 11.6228 -0.303042 15.8627 -1.675 1.675 -11.5031 11.1619 0.0466555 15.513 -1.675 1.675 Coordinations ------------- 3: 132 materials/unit_bicrystals/s5252/6th_567575756_575757657/1_31 ============================================================= 27.7957717225401 128 atoms .1442708261 -11.9639 11.2816 -0.440347 15.8627 -1.675 1.675 -11.3751 10.6928 -0.0239735 15.4463 -1.675 1.675 Coordinations ------------- 2: 1 3: 126 4: 1 materials/unit_bicrystals/s5252/7th_756757575_575757657/2_04 ============================================================= 27.7957717225401 136 atoms .1040711880 -12.1639 12.1639 -0.303042 15.8627 -1.675 1.675 -11.6884 11.6884 0.0553375 15.5043 -1.675 1.675 Coordinations ------------- 3: 136 materials/unit_bicrystals/s5252/3rd_757567575_757576575/1_09 ============================================================= 27.7957717225401 132 atoms .1038456021 -11.9639 11.9639 -0.303042 15.8627 -1.675 1.675 -11.3325 11.3325 0.0466192 15.513 -1.675 1.675 Coordinations ------------- 3: 132 materials/unit_bicrystals/s5252/8th_567575756_757576575/2_26 ============================================================= 27.7957717225401 136 atoms .1694397298 -12.1639 12.1639 -0.303839 15.8627 -1.675 1.675 -11.7441 11.7441 0.0341026 15.5248 -1.675 1.675 Coordinations ------------- 2: 3 3: 132 4: 1 materials/unit_bicrystals/s5252/2nd_757575675_575765757/0_04 ============================================================= 27.7957717225401 128 atoms .1775030170 -11.7639 11.4228 -0.303042 15.8627 -1.675 1.675 -11.2743 10.9331 0.0890478 15.4706 -1.675 1.675 Coordinations ------------- 2: 1 3: 122 4: 5 materials/unit_bicrystals/s5252/1st_756757575_575757657/2_03 ============================================================= 27.7957717225401 136 atoms .1040722918 -12.1639 12.1639 -0.303042 15.8627 -1.675 1.675 -11.6885 11.6885 0.0553337 15.5043 -1.675 1.675 Coordinations ------------- 3: 136 materials/unit_bicrystals/s4343/1st/1_04 ========================================= 943000764548256 304 atoms .0803419151 -14.0074 14.0074 -0.5 30.4272 -1.675 1.675 -13.3358 13.3358 -0.0966536 30.0238 -1.675 1.675 Coordinations ------------- 3: 304 materials/unit_bicrystals/s4343/2nd_may_be_not_stable/0_24 =========================================================== 943000764548256 150 atoms .1535891863 -13.8074 13.8074 -0.5 15.4636 -1.675 1.675 -13.3352 13.3352 0.0159504 14.9476 -1.675 1.675 Coordinations ------------- 2: 1 3: 148 4: 1 materials/unit_bicrystals/s4343/1_04 ===================================== 943000764548256 150 atoms 2.9423945152 -8.889 9.23924 -0.5 15.2923 -1.675 1.675 -13.3352 13.3352 0.0159504 14.9476 -1.675 1.675 Coordinations ------------- 2: 1 3: 148 4: 1 materials/unit_bicrystals/s3131/2nd_56765_65676/2_09 ===================================================== 32.2042266078078 68 atoms .0935029083 -10.6508 10.6508 -0.224031 9.30448 -1.675 1.675 -10.1297 10.1297 0.0802837 9.00017 -1.675 1.675 Coordinations ------------- 3: 68 materials/unit_bicrystals/s3131/1st_longer/1_03 ================================================ 32.2042266078078 80 atoms .0803802664 -12.1827 12.1827 -0.5 9.23422 -1.675 1.675 -11.9109 11.9109 -0.0877286 8.82195 -1.675 1.675 Coordinations ------------- 3: 80 materials/unit_bicrystals/s3131/1st_575_575/0_09 ================================================= 32.2042266078078 68 atoms .0935030428 -10.3508 10.3508 -0.224031 9.30448 -1.675 1.675 -10.1297 10.1297 0.0802683 9.00018 -1.675 1.675 Coordinations ------------- 3: 68 materials/unit_bicrystals/s3131/3rd_76567_76567/1_10 ===================================================== 32.2042266078078 64 atoms .2210210796 -9.51197 10.5008 -0.382891 9.14562 -1.675 1.675 -9.04786 10.0367 -0.10189 8.86462 -1.675 1.675 Coordinations ------------- 3: 64 materials/unit_bicrystals/s3131/2nd_shorter/0_03 ================================================= 32.2042266078078 64 atoms .1004199951 -9.85092 9.85092 -0.294297 9.23422 -1.675 1.675 -9.54634 9.54634 0.0122955 8.92763 -1.675 1.675 Coordinations ------------- 3: 64 materials/unit_bicrystals/s3131/4th_65676_67656/1_00 ===================================================== 32.2042266078078 64 atoms .2004856717 -9.51197 10.5008 -0.158859 9.02852 -1.675 1.675 -8.9994 9.98828 -0.0622916 8.93195 -1.675 1.675 Coordinations ------------- 3: 64