element(s): ['Al', 'Co'] AFLOW prototype label: A13B4_oP102_31_17a11b_8a2b Parameter names: ['a', 'b/a', 'c/a', 'y1', 'z1', 'y2', 'z2', 'y3', 'z3', 'y4', 'z4', 'y5', 'z5', 'y6', 'z6', 'y7', 'z7', 'y8', 'z8', 'y9', 'z9', 'y10', 'z10', 'y11', 'z11', 'y12', 'z12', 'y13', 'z13', 'y14', 'z14', 'y15', 'z15', 'y16', 'z16', 'y17', 'z17', 'y18', 'z18', 'y19', 'z19', 'y20', 'z20', 'y21', 'z21', 'y22', 'z22', 'y23', 'z23', 'y24', 'z24', 'y25', 'z25', 'x26', 'y26', 'z26', 'x27', 'y27', 'z27', 'x28', 'y28', 'z28', 'x29', 'y29', 'z29', 'x30', 'y30', 'z30', 'x31', 'y31', 'z31', 'x32', 'y32', 'z32', 'x33', 'y33', 'z33', 'x34', 'y34', 'z34', 'x35', 'y35', 'z35', 'x36', 'y36', 'z36', 'x37', 'y37', 'z37', 'x38', 'y38', 'z38'] model type (only 'standard' supported at this time): standard number of parameter sets: 1 Parameter values for parameter set 0: ['8.1022', '1.5224877', '1.769038', '0.1011673', '0.97861122', '0.005907809', '0.81730305', '0.40402253', '0.58855075', '0.098056443', '0.2427526', '0.69667502', '0.99042811', '0.59340031', '0.20386975', '0.49547394', '0.010532839', '0.59091981', '0.38902013', '0.6759425', '0.67409496', '0.39844752', '0.85020098', '0.2491158', '0.4135078', '0.80466139', '0.83536862', '0.82027818', '0.15344215', '0.13619229', '0.67044287', '0.90909543', '0.44046457', '0.90610224', '0.62584975', '0.36488099', '0.1579156', '0.73105905', '0.51651475', '0.89499554', '0.99803248', '0.087421246', '0.51531602', '0.20016574', '0.82354083', '0.76869925', '0.31231485', '0.60520464', '0.83050491', '0.41286031', '0.31323888', '0.30011811', '0.005120395', '0.23095451', '0.079065091', '0.40639367', '0.22059641', '0.27857581', '0.27943365', '0.21909677', '0.51495961', '0.73616532', '0.22912558', '0.41984136', '0.42300738', '0.22081182', '0.29520281', '0.73110265', '0.20993895', '0.59121694', '0.54524507', '0.21956195', '0.22205322', '0.54866436', '0.21842993', '0.98436671', '0.093447887', '0.25050747', '0.24941434', '0.91443499', '0.20754423', '0.90901429', '0.28287428', '0.22055533', '0.20456323', '0.097947686', '0.2227616', '0.90680105', '0.73763771', '0.22207764', '0.59360336', '0.091325933'] model name: EAM_Dynamo_VailheFarkas_1997_CoAl__MO_284963179498_005 ==== Building ASE atoms object with: ==== representative atom symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co'] representative atom coordinates = [[0. 0.1011673 0.97861122] [0. 0.00590781 0.81730305] [0. 0.40402253 0.58855075] [0. 0.09805644 0.2427526 ] [0. 0.69667502 0.99042811] [0. 0.59340031 0.20386975] [0. 0.49547394 0.01053284] [0. 0.59091981 0.38902013] [0. 0.6759425 0.67409496] [0. 0.39844752 0.85020098] [0. 0.2491158 0.4135078 ] [0. 0.80466139 0.83536862] [0. 0.82027818 0.15344215] [0. 0.13619229 0.67044287] [0. 0.90909543 0.44046457] [0. 0.90610224 0.62584975] [0. 0.36488099 0.1579156 ] [0.23095451 0.07906509 0.40639367] [0.22059641 0.27857581 0.27943365] [0.21909677 0.51495961 0.73616532] [0.22912558 0.41984136 0.42300738] [0.22081182 0.29520281 0.73110265] [0.20993895 0.59121694 0.54524507] [0.21956195 0.22205322 0.54866436] [0.21842993 0.98436671 0.09344789] [0.25050747 0.24941434 0.91443499] [0.20754423 0.90901429 0.28287428] [0.22055533 0.20456323 0.09794769] [0. 0.73105905 0.51651475] [0. 0.89499554 0.99803248] [0. 0.08742125 0.51531602] [0. 0.20016574 0.82354083] [0. 0.76869925 0.31231485] [0. 0.60520464 0.83050491] [0. 0.41286031 0.31323888] [0. 0.30011811 0.00512039] [0.2227616 0.90680105 0.73763771] [0.22207764 0.59360336 0.09132593]] spacegroup = 31 cell = [[8.1022, 0, 0], [0, 12.3355, 0], [0, 0, 14.3331]] ========================================= Step Time Energy fmax BFGS: 0 16:15:33 -390.556292 1.1088 BFGS: 1 16:15:33 -390.862259 0.9651 BFGS: 2 16:15:33 -391.636757 0.6412 BFGS: 3 16:15:33 -392.129721 0.6148 BFGS: 4 16:15:33 -392.395154 0.6352 BFGS: 5 16:15:33 -392.520250 0.5914 BFGS: 6 16:15:33 -392.720680 0.5546 BFGS: 7 16:15:33 -392.899093 0.5475 BFGS: 8 16:15:33 -393.053497 0.5363 BFGS: 9 16:15:33 -393.171616 0.5300 BFGS: 10 16:15:33 -393.256285 0.5183 BFGS: 11 16:15:33 -393.347751 0.5044 BFGS: 12 16:15:33 -393.428329 0.4939 BFGS: 13 16:15:34 -393.501117 0.4707 BFGS: 14 16:15:34 -393.572147 0.4566 BFGS: 15 16:15:34 -393.631412 0.4428 BFGS: 16 16:15:34 -393.678808 0.4308 BFGS: 17 16:15:34 -393.721006 0.4217 BFGS: 18 16:15:34 -393.759645 0.4091 BFGS: 19 16:15:34 -393.797743 0.4031 BFGS: 20 16:15:34 -393.832507 0.3942 BFGS: 21 16:15:35 -393.867821 0.3802 BFGS: 22 16:15:35 -393.901890 0.3682 BFGS: 23 16:15:35 -393.935117 0.3578 BFGS: 24 16:15:36 -393.961623 0.3494 BFGS: 25 16:15:36 -393.991329 0.3375 BFGS: 26 16:15:36 -394.019185 0.3272 BFGS: 27 16:15:36 -394.045266 0.3169 BFGS: 28 16:15:36 -394.069698 0.3033 BFGS: 29 16:15:36 -394.093837 0.2908 BFGS: 30 16:15:37 -394.109940 0.2816 BFGS: 31 16:15:37 -394.124617 0.2704 BFGS: 32 16:15:37 -394.146080 0.2554 BFGS: 33 16:15:37 -394.163705 0.2438 BFGS: 34 16:15:37 -394.182097 0.2294 BFGS: 35 16:15:37 -394.199778 0.2181 BFGS: 36 16:15:38 -394.216561 0.2039 BFGS: 37 16:15:38 -394.234434 0.1938 BFGS: 38 16:15:38 -394.251998 0.1932 BFGS: 39 16:15:39 -394.268826 0.1896 BFGS: 40 16:15:39 -394.284770 0.1853 BFGS: 41 16:15:39 -394.300589 0.1807 BFGS: 42 16:15:39 -394.314438 0.1748 BFGS: 43 16:15:39 -394.326059 0.1670 BFGS: 44 16:15:40 -394.338555 0.1562 BFGS: 45 16:15:40 -394.349489 0.1426 BFGS: 46 16:15:40 -394.364322 0.1188 BFGS: 47 16:15:40 -394.379813 0.1218 BFGS: 48 16:15:40 -394.392322 0.0982 BFGS: 49 16:15:40 -394.402701 0.1029 BFGS: 50 16:15:41 -394.408855 0.0901 BFGS: 51 16:15:41 -394.413180 0.1010 BFGS: 52 16:15:41 -394.417239 0.0805 BFGS: 53 16:15:41 -394.423171 0.0883 BFGS: 54 16:15:41 -394.426825 0.0987 BFGS: 55 16:15:41 -394.429749 0.1030 BFGS: 56 16:15:41 -394.432220 0.1055 BFGS: 57 16:15:42 -394.434372 0.1041 BFGS: 58 16:15:42 -394.437154 0.0988 BFGS: 59 16:15:42 -394.438589 0.1262 BFGS: 60 16:15:42 -394.440070 0.0853 BFGS: 61 16:15:42 -394.441306 0.0857 BFGS: 62 16:15:42 -394.444289 0.1006 BFGS: 63 16:15:42 -394.446381 0.1032 BFGS: 64 16:15:42 -394.448702 0.1024 BFGS: 65 16:15:42 -394.451998 0.0981 BFGS: 66 16:15:43 -394.455596 0.0923 BFGS: 67 16:15:43 -394.459604 0.0848 BFGS: 68 16:15:43 -394.463627 0.0778 BFGS: 69 16:15:43 -394.466912 0.0723 BFGS: 70 16:15:43 -394.471086 0.0706 BFGS: 71 16:15:43 -394.474732 0.0679 BFGS: 72 16:15:43 -394.478125 0.0648 BFGS: 73 16:15:44 -394.481848 0.0877 BFGS: 74 16:15:44 -394.484016 0.0821 BFGS: 75 16:15:44 -394.487650 0.0882 BFGS: 76 16:15:44 -394.491108 0.0895 BFGS: 77 16:15:44 -394.494060 0.0892 BFGS: 78 16:15:44 -394.493800 0.0755 BFGS: 79 16:15:45 -394.497275 0.0691 BFGS: 80 16:15:45 -394.500629 0.0636 BFGS: 81 16:15:45 -394.503200 0.0642 BFGS: 82 16:15:46 -394.505193 0.0757 BFGS: 83 16:15:46 -394.509409 0.0774 BFGS: 84 16:15:46 -394.513030 0.0685 BFGS: 85 16:15:46 -394.516278 0.0792 BFGS: 86 16:15:47 -394.518770 0.0670 BFGS: 87 16:15:47 -394.521622 0.0711 BFGS: 88 16:15:47 -394.524024 0.0729 BFGS: 89 16:15:47 -394.526295 0.0527 BFGS: 90 16:15:48 -394.528887 0.0487 BFGS: 91 16:15:48 -394.531051 0.0561 BFGS: 92 16:15:48 -394.532721 0.0532 BFGS: 93 16:15:48 -394.544719 0.0852 BFGS: 94 16:15:48 -394.546288 0.0877 BFGS: 95 16:15:48 -394.548370 0.0797 BFGS: 96 16:15:49 -394.550544 0.0627 BFGS: 97 16:15:49 -394.553470 0.0524 BFGS: 98 16:15:49 -394.554862 0.0437 BFGS: 99 16:15:49 -394.556022 0.1028 BFGS: 100 16:15:49 -394.556521 0.0653 BFGS: 101 16:15:49 -394.557431 0.0667 BFGS: 102 16:15:49 -394.557951 0.0845 BFGS: 103 16:15:50 -394.558502 0.0394 BFGS: 104 16:15:50 -394.558713 0.0410 BFGS: 105 16:15:50 -394.558981 0.0386 BFGS: 106 16:15:50 -394.559622 0.0302 BFGS: 107 16:15:50 -394.559754 0.0402 BFGS: 108 16:15:51 -394.559536 0.0307 BFGS: 109 16:15:51 -394.559981 0.1127 BFGS: 110 16:15:51 -394.559621 0.0296 BFGS: 111 16:15:51 -394.560302 0.0229 BFGS: 112 16:15:51 -394.560391 0.0631 BFGS: 113 16:15:52 -394.560556 0.0148 BFGS: 114 16:15:52 -394.560637 0.0170 BFGS: 115 16:15:52 -394.560685 0.0151 BFGS: 116 16:15:52 -394.560754 0.0148 BFGS: 117 16:15:53 -394.560783 0.0135 BFGS: 118 16:15:53 -394.560822 0.0119 BFGS: 119 16:15:53 -394.560848 0.0110 BFGS: 120 16:15:53 -394.560873 0.0091 BFGS: 121 16:15:54 -394.560891 0.0077 BFGS: 122 16:15:54 -394.560909 0.0073 BFGS: 123 16:15:54 -394.560925 0.0072 BFGS: 124 16:15:55 -394.560941 0.0070 BFGS: 125 16:15:55 -394.560955 0.0070 BFGS: 126 16:15:55 -394.560968 0.0067 BFGS: 127 16:15:55 -394.560982 0.0064 BFGS: 128 16:15:56 -394.560996 0.0060 BFGS: 129 16:15:56 -394.561011 0.0075 BFGS: 130 16:15:56 -394.561031 0.0099 BFGS: 131 16:15:56 -394.561057 0.0119 BFGS: 132 16:15:57 -394.561082 0.0118 BFGS: 133 16:15:57 -394.561107 0.0105 BFGS: 134 16:15:57 -394.561130 0.0099 BFGS: 135 16:15:57 -394.561149 0.0091 BFGS: 136 16:15:57 -394.561169 0.0073 BFGS: 137 16:15:58 -394.561191 0.0057 BFGS: 138 16:15:58 -394.561212 0.0066 BFGS: 139 16:15:58 -394.561233 0.0064 BFGS: 140 16:15:58 -394.561252 0.0069 BFGS: 141 16:15:59 -394.561273 0.0057 BFGS: 142 16:15:59 -394.561295 0.0045 BFGS: 143 16:15:59 -394.561314 0.0063 BFGS: 144 16:15:59 -394.561332 0.0071 BFGS: 145 16:15:59 -394.561353 0.0071 BFGS: 146 16:16:00 -394.561374 0.0075 BFGS: 147 16:16:00 -394.561394 0.0085 BFGS: 148 16:16:01 -394.561410 0.0086 BFGS: 149 16:16:01 -394.561423 0.0078 BFGS: 150 16:16:01 -394.561437 0.0064 BFGS: 151 16:16:01 -394.561450 0.0042 BFGS: 152 16:16:02 -394.561461 0.0032 BFGS: 153 16:16:02 -394.561467 0.0027 BFGS: 154 16:16:02 -394.561471 0.0023 BFGS: 155 16:16:03 -394.561475 0.0019 BFGS: 156 16:16:03 -394.561478 0.0020 BFGS: 157 16:16:03 -394.561481 0.0022 BFGS: 158 16:16:04 -394.561484 0.0020 BFGS: 159 16:16:04 -394.561486 0.0016 BFGS: 160 16:16:04 -394.561488 0.0018 BFGS: 161 16:16:05 -394.561490 0.0023 BFGS: 162 16:16:05 -394.561492 0.0024 BFGS: 163 16:16:05 -394.561494 0.0021 BFGS: 164 16:16:05 -394.561496 0.0022 BFGS: 165 16:16:06 -394.561497 0.0021 BFGS: 166 16:16:06 -394.561498 0.0017 BFGS: 167 16:16:06 -394.561499 0.0016 BFGS: 168 16:16:06 -394.561500 0.0014 BFGS: 169 16:16:06 -394.561501 0.0012 BFGS: 170 16:16:06 -394.561501 0.0011 BFGS: 171 16:16:07 -394.561501 0.0010 BFGS: 172 16:16:07 -394.561502 0.0008 BFGS: 173 16:16:07 -394.561502 0.0007 BFGS: 174 16:16:07 -394.561502 0.0006 BFGS: 175 16:16:07 -394.561502 0.0005 BFGS: 176 16:16:07 -394.561502 0.0005 BFGS: 177 16:16:08 -394.561502 0.0005 BFGS: 178 16:16:08 -394.561502 0.0005 BFGS: 179 16:16:08 -394.561502 0.0004 BFGS: 180 16:16:08 -394.561503 0.0003 BFGS: 181 16:16:08 -394.561503 0.0003 BFGS: 182 16:16:09 -394.561503 0.0003 BFGS: 183 16:16:09 -394.561503 0.0003 BFGS: 184 16:16:09 -394.561503 0.0003 BFGS: 185 16:16:09 -394.561503 0.0003 BFGS: 186 16:16:09 -394.561503 0.0003 BFGS: 187 16:16:10 -394.561503 0.0003 BFGS: 188 16:16:10 -394.561503 0.0003 BFGS: 189 16:16:10 -394.561503 0.0003 BFGS: 190 16:16:10 -394.561503 0.0003 BFGS: 191 16:16:10 -394.561503 0.0003 BFGS: 192 16:16:10 -394.561503 0.0003 BFGS: 193 16:16:11 -394.561503 0.0003 BFGS: 194 16:16:11 -394.561503 0.0003 BFGS: 195 16:16:11 -394.561503 0.0008 BFGS: 196 16:16:11 -394.561503 0.0003 BFGS: 197 16:16:12 -394.561503 0.0003 BFGS: 198 16:16:12 -394.561503 0.0005 BFGS: 199 16:16:12 -394.561503 0.0003 BFGS: 200 16:16:13 -394.561503 0.0003 BFGS: 201 16:16:13 -394.561503 0.0003 BFGS: 202 16:16:13 -394.561503 0.0002 BFGS: 203 16:16:13 -394.561503 0.0002 BFGS: 204 16:16:14 -394.561503 0.0002 BFGS: 205 16:16:14 -394.561504 0.0002 BFGS: 206 16:16:14 -394.561504 0.0002 BFGS: 207 16:16:14 -394.561504 0.0002 BFGS: 208 16:16:14 -394.561504 0.0002 BFGS: 209 16:16:15 -394.561504 0.0001 BFGS: 210 16:16:15 -394.561504 0.0002 BFGS: 211 16:16:15 -394.561504 0.0001 BFGS: 212 16:16:15 -394.561504 0.0001 BFGS: 213 16:16:16 -394.561504 0.0001 BFGS: 214 16:16:16 -394.561504 0.0001 BFGS: 215 16:16:16 -394.561504 0.0001 BFGS: 216 16:16:17 -394.561504 0.0001 BFGS: 217 16:16:17 -394.561504 0.0001 BFGS: 218 16:16:17 -394.561504 0.0001 BFGS: 219 16:16:17 -394.561504 0.0001 BFGS: 220 16:16:17 -394.561504 0.0001 BFGS: 221 16:16:18 -394.561504 0.0001 BFGS: 222 16:16:18 -394.561504 0.0001 BFGS: 223 16:16:18 -394.561504 0.0001 BFGS: 224 16:16:18 -394.561504 0.0000 BFGS: 225 16:16:18 -394.561504 0.0000 BFGS: 226 16:16:19 -394.561504 0.0000 BFGS: 227 16:16:19 -394.561504 0.0000 BFGS: 228 16:16:19 -394.561504 0.0000 BFGS: 229 16:16:19 -394.561504 0.0000 BFGS: 230 16:16:20 -394.561504 0.0000 BFGS: 231 16:16:20 -394.561504 0.0000 BFGS: 232 16:16:20 -394.561504 0.0000 BFGS: 233 16:16:20 -394.561504 0.0000 BFGS: 234 16:16:20 -394.561504 0.0000 BFGS: 235 16:16:20 -394.561504 0.0000 BFGS: 236 16:16:21 -394.561504 0.0000 BFGS: 237 16:16:21 -394.561504 0.0000 BFGS: 238 16:16:21 -394.561504 0.0000 BFGS: 239 16:16:22 -394.561504 0.0000 BFGS: 240 16:16:22 -394.561504 0.0000 BFGS: 241 16:16:22 -394.561504 0.0000 BFGS: 242 16:16:22 -394.561504 0.0000 BFGS: 243 16:16:23 -394.561504 0.0000 BFGS: 244 16:16:23 -394.561504 0.0000 BFGS: 245 16:16:23 -394.561504 0.0000 BFGS: 246 16:16:23 -394.561504 0.0000 BFGS: 247 16:16:24 -394.561504 0.0000 BFGS: 248 16:16:24 -394.561504 0.0000 BFGS: 249 16:16:24 -394.561504 0.0000 BFGS: 250 16:16:24 -394.561504 0.0000 BFGS: 251 16:16:25 -394.561504 0.0000 BFGS: 252 16:16:25 -394.561504 0.0000 BFGS: 253 16:16:25 -394.561504 0.0000 BFGS: 254 16:16:25 -394.561504 0.0000 BFGS: 255 16:16:26 -394.561504 0.0000 BFGS: 256 16:16:26 -394.561504 0.0000 BFGS: 257 16:16:26 -394.561504 0.0000 BFGS: 258 16:16:26 -394.561504 0.0000 BFGS: 259 16:16:26 -394.561504 0.0000 BFGS: 260 16:16:26 -394.561504 0.0000 BFGS: 261 16:16:27 -394.561504 0.0000 BFGS: 262 16:16:27 -394.561504 0.0000 BFGS: 263 16:16:27 -394.561504 0.0000 BFGS: 264 16:16:27 -394.561504 0.0000 BFGS: 265 16:16:27 -394.561504 0.0000 BFGS: 266 16:16:28 -394.561504 0.0000 BFGS: 267 16:16:28 -394.561504 0.0000 BFGS: 268 16:16:28 -394.561504 0.0000 BFGS: 269 16:16:28 -394.561504 0.0000 BFGS: 270 16:16:28 -394.561504 0.0000 BFGS: 271 16:16:29 -394.561504 0.0000 BFGS: 272 16:16:29 -394.561504 0.0000 BFGS: 273 16:16:29 -394.561504 0.0000 BFGS: 274 16:16:29 -394.561504 0.0000 BFGS: 275 16:16:30 -394.561504 0.0000 BFGS: 276 16:16:30 -394.561504 0.0000 BFGS: 277 16:16:30 -394.561504 0.0000 BFGS: 278 16:16:30 -394.561504 0.0000 BFGS: 279 16:16:31 -394.561504 0.0000 BFGS: 280 16:16:31 -394.561504 0.0000 BFGS: 281 16:16:31 -394.561504 0.0000 BFGS: 282 16:16:31 -394.561504 0.0000 BFGS: 283 16:16:31 -394.561504 0.0000 BFGS: 284 16:16:31 -394.561504 0.0000 BFGS: 285 16:16:31 -394.561504 0.0000 BFGS: 286 16:16:32 -394.561504 0.0000 BFGS: 287 16:16:32 -394.561504 0.0000 BFGS: 288 16:16:32 -394.561504 0.0000 BFGS: 289 16:16:32 -394.561504 0.0000 BFGS: 290 16:16:32 -394.561504 0.0000 BFGS: 291 16:16:32 -394.561504 0.0000 BFGS: 292 16:16:32 -394.561504 0.0000 BFGS: 293 16:16:33 -394.561504 0.0000 BFGS: 294 16:16:33 -394.561504 0.0000 BFGS: 295 16:16:33 -394.561504 0.0000 BFGS: 296 16:16:33 -394.561504 0.0000 BFGS: 297 16:16:33 -394.561504 0.0000 BFGS: 298 16:16:33 -394.561504 0.0000 BFGS: 299 16:16:33 -394.561504 0.0000 BFGS: 300 16:16:33 -394.561504 0.0000 BFGS: 301 16:16:34 -394.561504 0.0000 BFGS: 302 16:16:34 -394.561504 0.0000 BFGS: 303 16:16:34 -394.561504 0.0000 BFGS: 304 16:16:34 -394.561504 0.0000 BFGS: 305 16:16:34 -394.561504 0.0000 BFGS: 306 16:16:34 -394.561504 0.0000 BFGS: 307 16:16:34 -394.561504 0.0000 BFGS: 308 16:16:34 -394.561504 0.0000 BFGS: 309 16:16:34 -394.561504 0.0000 BFGS: 310 16:16:35 -394.561504 0.0000 BFGS: 311 16:16:35 -394.561504 0.0000 BFGS: 312 16:16:35 -394.561504 0.0000 BFGS: 313 16:16:35 -394.561504 0.0000 BFGS: 314 16:16:35 -394.561504 0.0000 BFGS: 315 16:16:35 -394.561504 0.0000 BFGS: 316 16:16:35 -394.561504 0.0000 BFGS: 317 16:16:35 -394.561504 0.0000 BFGS: 318 16:16:35 -394.561504 0.0000 BFGS: 319 16:16:36 -394.561504 0.0000 BFGS: 320 16:16:36 -394.561504 0.0000 BFGS: 321 16:16:36 -394.561504 0.0000 BFGS: 322 16:16:36 -394.561504 0.0000 BFGS: 323 16:16:36 -394.561504 0.0000 BFGS: 324 16:16:36 -394.561504 0.0000 BFGS: 325 16:16:37 -394.561504 0.0000 BFGS: 326 16:16:37 -394.561504 0.0000 BFGS: 327 16:16:37 -394.561504 0.0000 BFGS: 328 16:16:37 -394.561504 0.0000 BFGS: 329 16:16:37 -394.561504 0.0000 BFGS: 330 16:16:37 -394.561504 0.0000 BFGS: 331 16:16:37 -394.561504 0.0000 BFGS: 332 16:16:37 -394.561504 0.0000 BFGS: 333 16:16:38 -394.561504 0.0000 BFGS: 334 16:16:38 -394.561504 0.0000 BFGS: 335 16:16:38 -394.561504 0.0000 BFGS: 336 16:16:38 -394.561504 0.0000 BFGS: 337 16:16:38 -394.561504 0.0000 BFGS: 338 16:16:38 -394.561504 0.0000 BFGS: 339 16:16:38 -394.561504 0.0000 BFGS: 340 16:16:39 -394.561504 0.0000 BFGS: 341 16:16:39 -394.561504 0.0000 BFGS: 342 16:16:39 -394.561504 0.0000 BFGS: 343 16:16:39 -394.561504 0.0000 BFGS: 344 16:16:39 -394.561504 0.0000 BFGS: 345 16:16:39 -394.561504 0.0000 BFGS: 346 16:16:40 -394.561504 0.0000 BFGS: 347 16:16:40 -394.561504 0.0000 BFGS: 348 16:16:40 -394.561504 0.0000 BFGS: 349 16:16:40 -394.561504 0.0000 BFGS: 350 16:16:40 -394.561504 0.0000 BFGS: 351 16:16:40 -394.561504 0.0000 BFGS: 352 16:16:41 -394.561504 0.0000 BFGS: 353 16:16:41 -394.561504 0.0000 BFGS: 354 16:16:41 -394.561504 0.0000 BFGS: 355 16:16:41 -394.561504 0.0000 BFGS: 356 16:16:41 -394.561504 0.0000 BFGS: 357 16:16:42 -394.561504 0.0000 BFGS: 358 16:16:42 -394.561504 0.0000 BFGS: 359 16:16:42 -394.561504 0.0000 BFGS: 360 16:16:42 -394.561504 0.0000 BFGS: 361 16:16:42 -394.561504 0.0000 BFGS: 362 16:16:42 -394.561504 0.0000 BFGS: 363 16:16:42 -394.561504 0.0000 BFGS: 364 16:16:43 -394.561504 0.0000 BFGS: 365 16:16:43 -394.561504 0.0000 BFGS: 366 16:16:43 -394.561504 0.0000 BFGS: 367 16:16:43 -394.561504 0.0000 BFGS: 368 16:16:43 -394.561504 0.0000 BFGS: 369 16:16:43 -394.561504 0.0000 BFGS: 370 16:16:44 -394.561504 0.0000 BFGS: 371 16:16:44 -394.561504 0.0000 BFGS: 372 16:16:44 -394.561504 0.0000 BFGS: 373 16:16:44 -394.561504 0.0000 BFGS: 374 16:16:44 -394.561504 0.0000 BFGS: 375 16:16:44 -394.561504 0.0000 BFGS: 376 16:16:44 -394.561504 0.0000 BFGS: 377 16:16:44 -394.561504 0.0000 BFGS: 378 16:16:45 -394.561504 0.0000 BFGS: 379 16:16:45 -394.561504 0.0000 BFGS: 380 16:16:45 -394.561504 0.0000 BFGS: 381 16:16:45 -394.561504 0.0000 BFGS: 382 16:16:45 -394.561504 0.0000 BFGS: 383 16:16:45 -394.561504 0.0000 BFGS: 384 16:16:45 -394.561504 0.0000 BFGS: 385 16:16:45 -394.561504 0.0000 BFGS: 386 16:16:45 -394.561504 0.0000 BFGS: 387 16:16:46 -394.561504 0.0000 BFGS: 388 16:16:46 -394.561504 0.0000 BFGS: 389 16:16:46 -394.561504 0.0000 BFGS: 390 16:16:46 -394.561504 0.0000 BFGS: 391 16:16:46 -394.561504 0.0000 BFGS: 392 16:16:47 -394.561504 0.0000 BFGS: 393 16:16:47 -394.561504 0.0000 BFGS: 394 16:16:47 -394.561504 0.0000 BFGS: 395 16:16:47 -394.561504 0.0000 BFGS: 396 16:16:47 -394.561504 0.0000 BFGS: 397 16:16:47 -394.561504 0.0000 BFGS: 398 16:16:48 -394.561504 0.0000 BFGS: 399 16:16:48 -394.561504 0.0000 BFGS: 400 16:16:48 -394.561504 0.0000 BFGS: 401 16:16:48 -394.561504 0.0000 BFGS: 402 16:16:48 -394.561504 0.0000 BFGS: 403 16:16:48 -394.561504 0.0000 BFGS: 404 16:16:48 -394.561504 0.0000 BFGS: 405 16:16:49 -394.561504 0.0000 BFGS: 406 16:16:49 -394.561504 0.0000 BFGS: 407 16:16:49 -394.561504 0.0000 BFGS: 408 16:16:49 -394.561504 0.0000 BFGS: 409 16:16:49 -394.561504 0.0000 BFGS: 410 16:16:49 -394.561504 0.0000 BFGS: 411 16:16:49 -394.561504 0.0000 BFGS: 412 16:16:50 -394.561504 0.0000 BFGS: 413 16:16:50 -394.561504 0.0000 BFGS: 414 16:16:50 -394.561504 0.0000 BFGS: 415 16:16:50 -394.561504 0.0000 BFGS: 416 16:16:50 -394.561504 0.0000 BFGS: 417 16:16:50 -394.561504 0.0000 BFGS: 418 16:16:50 -394.561504 0.0000 BFGS: 419 16:16:51 -394.561504 0.0000 BFGS: 420 16:16:51 -394.561504 0.0000 BFGS: 421 16:16:51 -394.561504 0.0000 BFGS: 422 16:16:51 -394.561504 0.0000 BFGS: 423 16:16:51 -394.561504 0.0000 BFGS: 424 16:16:51 -394.561504 0.0000 BFGS: 425 16:16:52 -394.561504 0.0000 BFGS: 426 16:16:52 -394.561504 0.0000 BFGS: 427 16:16:52 -394.561504 0.0000 BFGS: 428 16:16:52 -394.561504 0.0000 BFGS: 429 16:16:52 -394.561504 0.0000 BFGS: 430 16:16:52 -394.561504 0.0000 BFGS: 431 16:16:52 -394.561504 0.0000 BFGS: 432 16:16:52 -394.561504 0.0000 BFGS: 433 16:16:52 -394.561504 0.0000 BFGS: 434 16:16:53 -394.561504 0.0000 BFGS: 435 16:16:53 -394.561504 0.0000 BFGS: 436 16:16:53 -394.561504 0.0000 BFGS: 437 16:16:53 -394.561504 0.0000 BFGS: 438 16:16:53 -394.561504 0.0000 BFGS: 439 16:16:53 -394.561504 0.0000 BFGS: 440 16:16:53 -394.561504 0.0000 BFGS: 441 16:16:54 -394.561504 0.0000 BFGS: 442 16:16:54 -394.561504 0.0000 BFGS: 443 16:16:54 -394.561504 0.0000 BFGS: 444 16:16:54 -394.561504 0.0000 BFGS: 445 16:16:54 -394.561504 0.0000 BFGS: 446 16:16:54 -394.561504 0.0000 BFGS: 447 16:16:54 -394.561504 0.0000 BFGS: 448 16:16:54 -394.561504 0.0000 BFGS: 449 16:16:55 -394.561504 0.0000 BFGS: 450 16:16:55 -394.561504 0.0000 BFGS: 451 16:16:55 -394.561504 0.0000 BFGS: 452 16:16:55 -394.561504 0.0000 BFGS: 453 16:16:55 -394.561504 0.0000 BFGS: 454 16:16:55 -394.561504 0.0000 BFGS: 455 16:16:55 -394.561504 0.0000 BFGS: 456 16:16:55 -394.561504 0.0000 BFGS: 457 16:16:55 -394.561504 0.0000 BFGS: 458 16:16:55 -394.561504 0.0000 BFGS: 459 16:16:55 -394.561504 0.0000 BFGS: 460 16:16:56 -394.561504 0.0000 BFGS: 461 16:16:56 -394.561504 0.0000 BFGS: 462 16:16:56 -394.561504 0.0000 BFGS: 463 16:16:56 -394.561504 0.0000 BFGS: 464 16:16:56 -394.561504 0.0000 BFGS: 465 16:16:56 -394.561504 0.0000 BFGS: 466 16:16:56 -394.561504 0.0000 BFGS: 467 16:16:56 -394.561504 0.0000 BFGS: 468 16:16:56 -394.561504 0.0000 BFGS: 469 16:16:56 -394.561504 0.0000 BFGS: 470 16:16:57 -394.561504 0.0000 BFGS: 471 16:16:57 -394.561504 0.0000 BFGS: 472 16:16:57 -394.561504 0.0000 BFGS: 473 16:16:57 -394.561504 0.0000 BFGS: 474 16:16:57 -394.561504 0.0000 BFGS: 475 16:16:57 -394.561504 0.0000 BFGS: 476 16:16:57 -394.561504 0.0000 BFGS: 477 16:16:57 -394.561504 0.0000 BFGS: 478 16:16:57 -394.561504 0.0000 BFGS: 479 16:16:57 -394.561504 0.0000 BFGS: 480 16:16:58 -394.561504 0.0000 BFGS: 481 16:16:58 -394.561504 0.0000 BFGS: 482 16:16:58 -394.561504 0.0000 BFGS: 483 16:16:58 -394.561504 0.0000 BFGS: 484 16:16:58 -394.561504 0.0000 BFGS: 485 16:16:58 -394.561504 0.0000 BFGS: 486 16:16:58 -394.561504 0.0000 BFGS: 487 16:16:58 -394.561504 0.0000 BFGS: 488 16:16:58 -394.561504 0.0000 BFGS: 489 16:16:59 -394.561504 0.0000 BFGS: 490 16:16:59 -394.561504 0.0000 BFGS: 491 16:16:59 -394.561504 0.0000 BFGS: 492 16:16:59 -394.561504 0.0000 BFGS: 493 16:16:59 -394.561504 0.0000 BFGS: 494 16:16:59 -394.561504 0.0000 BFGS: 495 16:16:59 -394.561504 0.0000 BFGS: 496 16:17:00 -394.561504 0.0000 BFGS: 497 16:17:00 -394.561504 0.0000 BFGS: 498 16:17:00 -394.561504 0.0000 BFGS: 499 16:17:00 -394.561504 0.0000 BFGS: 500 16:17:00 -394.561504 0.0000 BFGS: 501 16:17:01 -394.561504 0.0000 BFGS: 502 16:17:01 -394.561504 0.0000 BFGS: 503 16:17:01 -394.561504 0.0000 BFGS: 504 16:17:01 -394.561504 0.0000 BFGS: 505 16:17:01 -394.561504 0.0000 BFGS: 506 16:17:01 -394.561504 0.0000 BFGS: 507 16:17:02 -394.561504 0.0000 BFGS: 508 16:17:02 -394.561504 0.0000 BFGS: 509 16:17:02 -394.561504 0.0000 BFGS: 510 16:17:02 -394.561504 0.0000 BFGS: 511 16:17:02 -394.561504 0.0000 BFGS: 512 16:17:03 -394.561504 0.0000 BFGS: 513 16:17:03 -394.561504 0.0000 BFGS: 514 16:17:03 -394.561504 0.0000 BFGS: 515 16:17:03 -394.561504 0.0000 BFGS: 516 16:17:03 -394.561504 0.0000 BFGS: 517 16:17:03 -394.561504 0.0000 BFGS: 518 16:17:03 -394.561504 0.0000 BFGS: 519 16:17:04 -394.561504 0.0000 BFGS: 520 16:17:04 -394.561504 0.0000 BFGS: 521 16:17:04 -394.561504 0.0000 BFGS: 522 16:17:04 -394.561504 0.0000 BFGS: 523 16:17:04 -394.561504 0.0000 BFGS: 524 16:17:05 -394.561504 0.0000 BFGS: 525 16:17:05 -394.561504 0.0000 BFGS: 526 16:17:05 -394.561504 0.0000 BFGS: 527 16:17:05 -394.561504 0.0000 BFGS: 528 16:17:05 -394.561504 0.0000 BFGS: 529 16:17:05 -394.561504 0.0000 BFGS: 530 16:17:05 -394.561504 0.0000 BFGS: 531 16:17:06 -394.561504 0.0000 BFGS: 532 16:17:06 -394.561504 0.0000 BFGS: 533 16:17:06 -394.561504 0.0000 BFGS: 534 16:17:06 -394.561504 0.0000 BFGS: 535 16:17:06 -394.561504 0.0000 BFGS: 536 16:17:06 -394.561504 0.0000 BFGS: 537 16:17:06 -394.561504 0.0000 BFGS: 538 16:17:06 -394.561504 0.0000 BFGS: 539 16:17:07 -394.561504 0.0000 BFGS: 540 16:17:07 -394.561504 0.0000 BFGS: 541 16:17:07 -394.561504 0.0000 BFGS: 542 16:17:07 -394.561504 0.0000 BFGS: 543 16:17:07 -394.561504 0.0000 BFGS: 544 16:17:07 -394.561504 0.0000 BFGS: 545 16:17:07 -394.561504 0.0000 BFGS: 546 16:17:08 -394.561504 0.0000 BFGS: 547 16:17:08 -394.561504 0.0000 BFGS: 548 16:17:08 -394.561504 0.0000 BFGS: 549 16:17:08 -394.561504 0.0000 BFGS: 550 16:17:08 -394.561504 0.0000 BFGS: 551 16:17:08 -394.561504 0.0000 BFGS: 552 16:17:08 -394.561504 0.0000 BFGS: 553 16:17:09 -394.561504 0.0000 BFGS: 554 16:17:09 -394.561504 0.0000 BFGS: 555 16:17:09 -394.561504 0.0000 Minimization converged after 555 steps. Maximum force component: 8.160273406651599e-09 eV/Angstrom Maximum stress component: 6.1942978934474e-11 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Al', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co', 'Co'] basis = [[0. 0.10470579 0.9858964 ] [0.5 0.89529421 0.4858964 ] [0. 0.00551444 0.83324363] [0.5 0.99448556 0.33324363] [0. 0.40127916 0.5916958 ] [0.5 0.59872084 0.0916958 ] [0. 0.09865861 0.23699865] [0.5 0.90134139 0.73699865] [0. 0.7001183 0.9913472 ] [0.5 0.2998817 0.4913472 ] [0. 0.59369887 0.22060589] [0.5 0.40630113 0.72060589] [0. 0.49451996 0.99535953] [0.5 0.50548004 0.49535953] [0. 0.59049194 0.39944023] [0.5 0.40950806 0.89944023] [0. 0.69389234 0.67961191] [0.5 0.30610766 0.17961191] [0. 0.39527436 0.84279307] [0.5 0.60472564 0.34279307] [0. 0.24943692 0.41443205] [0.5 0.75056308 0.91443205] [0. 0.79986129 0.83725415] [0.5 0.20013871 0.33725415] [0. 0.80600477 0.1491171 ] [0.5 0.19399523 0.6491171 ] [0. 0.11312492 0.67990323] [0.5 0.88687508 0.17990323] [0. 0.90948929 0.42928001] [0.5 0.09051071 0.92928001] [0. 0.90633692 0.60809118] [0.5 0.09366308 0.10809118] [0. 0.38696004 0.14875253] [0.5 0.61303996 0.64875253] [0.22381019 0.08216389 0.40353938] [0.27618981 0.91783611 0.90353938] [0.72381019 0.91783611 0.90353938] [0.77618981 0.08216389 0.40353938] [0.2090754 0.27984841 0.27669887] [0.2909246 0.72015159 0.77669887] [0.7090754 0.72015159 0.77669887] [0.7909246 0.27984841 0.27669887] [0.20962753 0.51525425 0.73451523] [0.29037247 0.48474575 0.23451523] [0.70962753 0.48474575 0.23451523] [0.79037247 0.51525425 0.73451523] [0.22345655 0.41755445 0.42527925] [0.27654345 0.58244555 0.92527925] [0.72345655 0.58244555 0.92527925] [0.77654345 0.41755445 0.42527925] [0.21345536 0.29037865 0.72939529] [0.28654464 0.70962135 0.22939529] [0.71345536 0.70962135 0.22939529] [0.78654464 0.29037865 0.72939529] [0.20001501 0.58746117 0.54982969] [0.29998499 0.41253883 0.04982969] [0.70001501 0.41253883 0.04982969] [0.79998499 0.58746117 0.54982969] [0.20931482 0.22013478 0.5520619 ] [0.29068518 0.77986522 0.0520619 ] [0.70931482 0.77986522 0.0520619 ] [0.79068518 0.22013478 0.5520619 ] [0.20958348 0.98476622 0.0942322 ] [0.29041652 0.01523378 0.5942322 ] [0.70958348 0.01523378 0.5942322 ] [0.79041652 0.98476622 0.0942322 ] [0.25432949 0.25000748 0.91435888] [0.24567051 0.74999252 0.41435888] [0.75432949 0.74999252 0.41435888] [0.74567051 0.25000748 0.91435888] [0.19999584 0.91250678 0.27886374] [0.30000416 0.08749322 0.77886374] [0.69999584 0.08749322 0.77886374] [0.80000416 0.91250678 0.27886374] [0.21344971 0.2096396 0.09932978] [0.28655029 0.7903604 0.59932978] [0.71344971 0.7903604 0.59932978] [0.78655029 0.2096396 0.09932978] [0. 0.73761524 0.51432206] [0.5 0.26238476 0.01432206] [0. 0.89936882 0.99016712] [0.5 0.10063118 0.49016712] [0. 0.07814304 0.51787843] [0.5 0.92185696 0.01787843] [0. 0.20030974 0.8334596 ] [0.5 0.79969026 0.3334596 ] [0. 0.76236453 0.31441119] [0.5 0.23763547 0.81441119] [0. 0.60059371 0.83859374] [0.5 0.39940629 0.33859374] [0. 0.42201376 0.31075386] [0.5 0.57798624 0.81075386] [0. 0.29967621 0.99525478] [0.5 0.70032379 0.49525478] [0.19168432 0.90448721 0.7343529 ] [0.30831568 0.09551279 0.2343529 ] [0.69168432 0.09551279 0.2343529 ] [0.80831568 0.90448721 0.7343529 ] [0.19161995 0.59549859 0.09436122] [0.30838005 0.40450141 0.59436122] [0.69161995 0.40450141 0.59436122] [0.80838005 0.59549859 0.09436122]] cellpar = Cell([8.061518087928366, 12.605627851159172, 14.845494681748978]) forces = [[ 0.00000000e+00 7.04516242e-10 4.42578411e-10] [ 0.00000000e+00 -7.04516242e-10 4.42578411e-10] [ 0.00000000e+00 -1.20975196e-09 1.85296917e-10] [ 0.00000000e+00 1.20975196e-09 1.85296917e-10] [-1.58985411e-30 -1.14320767e-09 9.75369348e-10] [ 3.17970823e-30 1.14320767e-09 9.75369348e-10] [ 7.94927057e-31 1.86379967e-09 -7.87942272e-10] [ 0.00000000e+00 -1.86379967e-09 -7.87942272e-10] [ 0.00000000e+00 -4.46313909e-10 -9.94061796e-10] [ 0.00000000e+00 4.46313909e-10 -9.94061796e-10] [ 0.00000000e+00 2.68816365e-10 -2.70489346e-09] [ 0.00000000e+00 -2.68816365e-10 -2.70489346e-09] [ 0.00000000e+00 9.87518910e-10 5.42224253e-10] [ 0.00000000e+00 -9.87518910e-10 5.42224253e-10] [ 0.00000000e+00 -4.59800845e-10 6.66336680e-10] [ 0.00000000e+00 4.59800845e-10 6.66336680e-10] [ 0.00000000e+00 -4.13952712e-10 -1.44146112e-09] [ 0.00000000e+00 4.13952712e-10 -1.44146112e-09] [-7.94927057e-31 -5.62216293e-10 -4.16181973e-10] [ 0.00000000e+00 5.62216293e-10 -4.16181973e-10] [ 0.00000000e+00 -8.16027341e-09 5.20494169e-09] [ 0.00000000e+00 8.16027341e-09 5.20494169e-09] [ 0.00000000e+00 -4.28110663e-10 -1.85882741e-09] [ 0.00000000e+00 4.28110663e-10 -1.85882741e-09] [ 0.00000000e+00 -1.42784401e-09 1.14581865e-09] [ 0.00000000e+00 1.42784401e-09 1.14581865e-09] [ 0.00000000e+00 1.07139481e-09 -8.31973917e-10] [ 0.00000000e+00 -1.07139481e-09 -8.31973917e-10] [ 0.00000000e+00 1.18652830e-09 -1.39475719e-09] [ 0.00000000e+00 -1.18652830e-09 -1.39475719e-09] [ 0.00000000e+00 1.59721924e-09 1.31287130e-09] [-7.94927057e-31 -1.59721924e-09 1.31287130e-09] [ 0.00000000e+00 -1.77340396e-09 7.16566833e-10] [ 0.00000000e+00 1.77340396e-09 7.16566833e-10] [ 8.27932845e-10 -7.56423690e-10 -4.70786436e-10] [-8.27932845e-10 7.56423690e-10 -4.70786436e-10] [ 8.27932845e-10 7.56423690e-10 -4.70786436e-10] [-8.27932845e-10 -7.56423690e-10 -4.70786436e-10] [ 4.71117378e-10 2.02862398e-10 1.84534294e-10] [-4.71117378e-10 -2.02862398e-10 1.84534294e-10] [ 4.71117378e-10 -2.02862398e-10 1.84534294e-10] [-4.71117378e-10 2.02862398e-10 1.84534294e-10] [-1.10485986e-09 1.70747622e-10 7.08364796e-10] [ 1.10485986e-09 -1.70747622e-10 7.08364796e-10] [-1.10485986e-09 -1.70747622e-10 7.08364796e-10] [ 1.10485986e-09 1.70747622e-10 7.08364796e-10] [ 1.37207322e-10 5.52191050e-10 1.28497098e-10] [-1.37207322e-10 -5.52191050e-10 1.28497098e-10] [ 1.37207322e-10 -5.52191050e-10 1.28497098e-10] [-1.37207322e-10 5.52191050e-10 1.28497098e-10] [ 5.21298252e-10 -3.99027639e-10 6.84124728e-10] [-5.21298252e-10 3.99027639e-10 6.84124728e-10] [ 5.21298252e-10 3.99027639e-10 6.84124728e-10] [-5.21298252e-10 -3.99027639e-10 6.84124728e-10] [-1.17718551e-09 -2.28281063e-10 2.98248580e-10] [ 1.17718551e-09 2.28281063e-10 2.98248580e-10] [-1.17718551e-09 2.28281063e-10 2.98248580e-10] [ 1.17718551e-09 -2.28281063e-10 2.98248580e-10] [ 1.43036597e-09 -1.13381128e-10 1.71381932e-10] [-1.43036597e-09 1.13381128e-10 1.71381932e-10] [ 1.43036597e-09 1.13381128e-10 1.71381932e-10] [-1.43036597e-09 -1.13381128e-10 1.71381932e-10] [-9.19314761e-10 2.02505416e-10 4.21144408e-11] [ 9.19314761e-10 -2.02505416e-10 4.21144408e-11] [-9.19314761e-10 -2.02505416e-10 4.21144408e-11] [ 9.19314761e-10 2.02505416e-10 4.21144408e-11] [ 7.32284598e-10 -6.49646655e-10 6.04164856e-11] [-7.32284598e-10 6.49646655e-10 6.04164856e-11] [ 7.32284598e-10 6.49646655e-10 6.04164856e-11] [-7.32284598e-10 -6.49646655e-10 6.04164856e-11] [-1.08850879e-09 1.66281279e-10 -5.15120180e-10] [ 1.08850879e-09 -1.66281279e-10 -5.15120180e-10] [-1.08850879e-09 -1.66281279e-10 -5.15120180e-10] [ 1.08850879e-09 1.66281279e-10 -5.15120180e-10] [ 1.48637177e-09 2.56252798e-10 -2.82311926e-10] [-1.48637177e-09 -2.56252798e-10 -2.82311926e-10] [ 1.48637177e-09 -2.56252798e-10 -2.82311926e-10] [-1.48637177e-09 2.56252798e-10 -2.82311926e-10] [ 0.00000000e+00 1.56505565e-10 7.37750303e-10] [ 0.00000000e+00 -1.56505565e-10 7.37750303e-10] [ 0.00000000e+00 -3.97352124e-10 1.92121551e-09] [ 0.00000000e+00 3.97352124e-10 1.92121551e-09] [ 0.00000000e+00 -7.94550314e-10 1.68144408e-09] [ 0.00000000e+00 7.94550314e-10 1.68144408e-09] [ 0.00000000e+00 -3.78956352e-10 5.48117801e-12] [ 0.00000000e+00 3.78956352e-10 5.48117801e-12] [ 0.00000000e+00 -1.18183355e-10 -7.73459748e-10] [ 0.00000000e+00 1.18183355e-10 -7.73459748e-10] [ 7.94927057e-31 -3.13254695e-10 -2.38567798e-10] [ 0.00000000e+00 3.13254695e-10 -2.38567798e-10] [ 0.00000000e+00 6.86432617e-09 -4.74587977e-09] [ 0.00000000e+00 -6.86432617e-09 -4.74587977e-09] [-3.97463529e-31 8.97987839e-10 -9.85787440e-10] [ 0.00000000e+00 -8.97987839e-10 -9.85787440e-10] [-1.39811943e-09 -5.46912208e-10 -4.50251876e-10] [ 1.39811943e-09 5.46912208e-10 -4.50251876e-10] [-1.39811943e-09 5.46912208e-10 -4.50251876e-10] [ 1.39811943e-09 -5.46912208e-10 -4.50251876e-10] [-7.41174641e-10 3.79971034e-10 2.58737343e-10] [ 7.41174641e-10 -3.79971034e-10 2.58737343e-10] [-7.41174641e-10 -3.79971034e-10 2.58737343e-10] [ 7.41174641e-10 3.79971034e-10 2.58737343e-10]] stress = [-4.73906269e-11 -6.19429789e-11 -2.24318373e-11 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -3.8682500367548864 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Prototype label changed during relaxation: test template prototype is A13B4_oP102_31_17a11b_8a2b, while relaxed is A13B4_oP102_58_af8g5h_4gh. Skipping parameter set 0. No parameter sets in this group successfully added a property instance. Skipping this group.