180 Lattice="9.450414866209028 0.0 0.0 0.0 9.450414866209028 0.0 0.0 0.0 63.00276577472686" Properties=species:S:1:pos:R:3:forces:R:3 energy=-1198.219229902672 stress="0.008275310950144173 1.634502986495638e-12 1.4667560247586766e-07 1.634502986495638e-12 0.008275310953177644 -7.020325152837066e-07 1.4667560247586766e-07 -7.020325152837066e-07 2.89610084622549e-07" free_energy=-1198.219229902672 pbc="T T F" Mo -0.00076869 0.01104946 15.77976706 -0.00000194 -0.00000226 0.00000150 Mo 1.57429996 1.58611806 17.34430802 -0.00000153 -0.00000200 0.00000136 Mo -0.00076998 0.01104800 18.90427002 -0.00000155 -0.00000208 0.00000153 Mo 1.57429800 1.58611570 20.48445721 -0.00000079 -0.00000237 0.00000130 Mo -0.00077244 0.01104466 22.05785974 0.00000054 -0.00000219 0.00000074 Mo 1.57429546 1.58611143 23.63350419 0.00000102 -0.00000174 0.00000111 Mo -0.00077470 0.01103946 25.20837425 0.00000107 -0.00000211 0.00000102 Mo 1.57429375 1.58610523 26.78351309 0.00000187 -0.00000206 0.00000013 Mo -0.00077557 0.01103219 28.35855846 0.00000244 -0.00000229 -0.00000002 Mo 1.57429396 1.58609690 29.93363736 0.00000309 -0.00000245 0.00000035 Mo -0.00077416 0.01102281 31.50870127 0.00000322 -0.00000178 0.00000038 Mo 1.57429664 1.58608668 33.08378021 0.00000236 -0.00000163 -0.00000067 Mo -0.00077037 0.01101204 34.65882559 0.00000187 -0.00000014 -0.00000148 Mo 1.57430129 1.58607572 36.23396433 0.00000130 0.00000153 -0.00000042 Mo -0.00076514 0.01100144 37.80883436 0.00000037 0.00000220 -0.00000015 Mo 1.57430675 1.58606595 39.38447884 -0.00000118 0.00000299 -0.00000143 Mo -0.00075990 0.01099289 40.95788134 -0.00000263 0.00000413 -0.00000155 Mo 1.57431134 1.58605891 42.53806848 -0.00000303 0.00000531 -0.00000112 Mo -0.00075638 0.01098781 44.09803047 -0.00000368 0.00000485 -0.00000122 Mo 1.57431358 1.58605583 45.66257142 -0.00000355 0.00000479 -0.00000134 Mo -0.00076869 3.16118774 15.77976706 -0.00000195 -0.00000211 0.00000158 Mo 1.57429997 4.73625638 17.34430802 -0.00000166 -0.00000259 0.00000147 Mo -0.00076998 3.16118628 18.90427003 -0.00000136 -0.00000199 0.00000118 Mo 1.57429800 4.73625396 20.48445721 -0.00000064 -0.00000167 0.00000114 Mo -0.00077242 3.16118294 22.05785972 0.00000008 -0.00000183 0.00000127 Mo 1.57429547 4.73624975 23.63350419 0.00000074 -0.00000257 0.00000095 Mo -0.00077475 3.16117778 25.20837427 0.00000231 -0.00000290 0.00000060 Mo 1.57429373 4.73624354 26.78351307 0.00000238 -0.00000243 0.00000072 Mo -0.00077558 3.16117047 28.35855845 0.00000250 -0.00000202 0.00000032 Mo 1.57429398 4.73623516 29.93363740 0.00000256 -0.00000179 -0.00000057 Mo -0.00077410 3.16116110 31.50870129 0.00000195 -0.00000186 -0.00000025 Mo 1.57429663 4.73622494 33.08378017 0.00000253 -0.00000072 0.00000037 Mo -0.00077035 3.16115028 34.65882555 0.00000136 0.00000093 -0.00000044 Mo 1.57430131 4.73621402 36.23396437 0.00000083 0.00000131 -0.00000139 Mo -0.00076512 3.16113974 37.80883440 -0.00000006 0.00000200 -0.00000125 Mo 1.57430673 4.73620424 39.38447882 -0.00000088 0.00000303 -0.00000082 Mo -0.00075996 3.16113120 40.95788131 -0.00000127 0.00000374 -0.00000081 Mo 1.57431134 4.73619725 42.53806848 -0.00000298 0.00000405 -0.00000126 Mo -0.00075643 3.16112612 44.09803048 -0.00000249 0.00000433 -0.00000150 Mo 1.57431357 4.73619412 45.66257142 -0.00000340 0.00000464 -0.00000136 Mo -0.00076868 6.31132603 15.77976706 -0.00000208 -0.00000220 0.00000145 Mo 1.57429998 7.88639463 17.34430803 -0.00000194 -0.00000180 0.00000110 Mo -0.00076998 6.31132458 18.90427002 -0.00000157 -0.00000213 0.00000153 Mo 1.57429800 7.88639226 20.48445718 -0.00000063 -0.00000203 0.00000189 Mo -0.00077243 6.31132124 22.05785973 0.00000022 -0.00000214 0.00000098 Mo 1.57429546 7.88638802 23.63350421 0.00000109 -0.00000219 0.00000055 Mo -0.00077472 6.31131603 25.20837427 0.00000159 -0.00000195 0.00000054 Mo 1.57429373 7.88638184 26.78351308 0.00000250 -0.00000281 0.00000047 Mo -0.00077559 6.31130879 28.35855843 0.00000277 -0.00000290 0.00000071 Mo 1.57429398 7.88637347 29.93363736 0.00000264 -0.00000219 0.00000020 Mo -0.00077413 6.31129937 31.50870131 0.00000263 -0.00000117 -0.00000069 Mo 1.57429667 7.88636320 33.08378021 0.00000165 -0.00000004 -0.00000072 Mo -0.00077036 6.31128862 34.65882554 0.00000176 -0.00000019 -0.00000019 Mo 1.57430131 7.88635232 36.23396432 0.00000071 0.00000099 -0.00000019 Mo -0.00076513 6.31127800 37.80883440 0.00000007 0.00000271 -0.00000135 Mo 1.57430673 7.88634250 39.38447885 -0.00000069 0.00000352 -0.00000168 Mo -0.00075992 6.31126949 40.95788130 -0.00000220 0.00000367 -0.00000072 Mo 1.57431130 7.88633556 42.53806847 -0.00000216 0.00000355 -0.00000100 Mo -0.00075641 6.31126440 44.09803048 -0.00000306 0.00000450 -0.00000155 Mo 1.57431357 7.88633241 45.66257142 -0.00000334 0.00000461 -0.00000135 Mo 3.14936961 0.01104945 15.77976705 -0.00000206 -0.00000212 0.00000159 Mo 4.72443827 1.58611808 17.34430802 -0.00000196 -0.00000227 0.00000146 Mo 3.14936830 0.01104799 18.90427003 -0.00000121 -0.00000184 0.00000123 Mo 4.72443627 1.58611568 20.48445720 -0.00000030 -0.00000211 0.00000135 Mo 3.14936587 0.01104467 22.05785973 0.00000007 -0.00000238 0.00000121 Mo 4.72443376 1.58611144 23.63350421 0.00000084 -0.00000200 0.00000062 Mo 3.14936356 0.01103947 25.20837428 0.00000166 -0.00000246 0.00000045 Mo 4.72443203 1.58610525 26.78351306 0.00000232 -0.00000240 0.00000080 Mo 3.14936269 0.01103220 28.35855844 0.00000312 -0.00000254 0.00000064 Mo 4.72443228 1.58609689 29.93363738 0.00000248 -0.00000226 -0.00000013 Mo 3.14936419 0.01102278 31.50870130 0.00000188 -0.00000103 -0.00000040 Mo 4.72443494 1.58608665 33.08378020 0.00000212 -0.00000066 -0.00000030 Mo 3.14936792 0.01101201 34.65882556 0.00000185 0.00000057 -0.00000073 Mo 4.72443959 1.58607574 36.23396435 0.00000108 0.00000103 -0.00000100 Mo 3.14937319 0.01100144 37.80883437 -0.00000075 0.00000232 -0.00000062 Mo 4.72444503 1.58606593 39.38447881 -0.00000103 0.00000354 -0.00000078 Mo 3.14937832 0.01099293 40.95788133 -0.00000100 0.00000330 -0.00000141 Mo 4.72444961 1.58605896 42.53806849 -0.00000255 0.00000399 -0.00000140 Mo 3.14938187 0.01098783 44.09803047 -0.00000278 0.00000421 -0.00000125 Mo 4.72445186 1.58605583 45.66257142 -0.00000339 0.00000478 -0.00000133 Mo 3.14936961 3.16118774 15.77976705 -0.00000212 -0.00000221 0.00000172 Mo 4.72443828 4.73625635 17.34430801 -0.00000218 -0.00000206 0.00000164 Mo 3.14936830 3.16118627 18.90427004 -0.00000128 -0.00000177 0.00000084 Mo 4.72443629 4.73625396 20.48445722 -0.00000067 -0.00000167 0.00000091 Mo 3.14936586 3.16118296 22.05785971 0.00000015 -0.00000228 0.00000158 Mo 4.72443373 4.73624975 23.63350419 0.00000137 -0.00000261 0.00000119 Mo 3.14936357 3.16117775 25.20837428 0.00000144 -0.00000229 0.00000048 Mo 4.72443202 4.73624354 26.78351309 0.00000237 -0.00000245 0.00000003 Mo 3.14936271 3.16117049 28.35855845 0.00000253 -0.00000252 0.00000030 Mo 4.72443227 4.73623518 29.93363734 0.00000259 -0.00000223 0.00000092 Mo 3.14936413 3.16116109 31.50870129 0.00000332 -0.00000155 -0.00000026 Mo 4.72443495 4.73622492 33.08378024 0.00000189 -0.00000038 -0.00000149 Mo 3.14936795 3.16115031 34.65882555 0.00000125 0.00000028 -0.00000041 Mo 4.72443962 4.73621401 36.23396431 0.00000026 0.00000149 0.00000009 Mo 3.14937316 3.16113973 37.80883440 0.00000011 0.00000232 -0.00000114 Mo 4.72444499 4.73620424 39.38447885 -0.00000014 0.00000297 -0.00000168 Mo 3.14937837 3.16113120 40.95788131 -0.00000206 0.00000359 -0.00000105 Mo 4.72444960 4.73619725 42.53806846 -0.00000239 0.00000403 -0.00000070 Mo 3.14938188 3.16112610 44.09803047 -0.00000317 0.00000470 -0.00000135 Mo 4.72445186 4.73619412 45.66257143 -0.00000325 0.00000457 -0.00000163 Mo 3.14936960 6.31132603 15.77976707 -0.00000197 -0.00000224 0.00000132 Mo 4.72443825 7.88639464 17.34430802 -0.00000145 -0.00000206 0.00000141 Mo 3.14936828 6.31132460 18.90427000 -0.00000081 -0.00000258 0.00000184 Mo 4.72443630 7.88639227 20.48445721 -0.00000097 -0.00000230 0.00000130 Mo 3.14936587 6.31132121 22.05785975 -0.00000006 -0.00000151 0.00000050 Mo 4.72443376 7.88638801 23.63350420 0.00000075 -0.00000190 0.00000077 Mo 3.14936357 6.31131604 25.20837425 0.00000154 -0.00000221 0.00000119 Mo 4.72443203 7.88638183 26.78351306 0.00000214 -0.00000245 0.00000078 Mo 3.14936272 6.31130876 28.35855846 0.00000224 -0.00000216 0.00000003 Mo 4.72443227 7.88637346 29.93363739 0.00000277 -0.00000195 -0.00000046 Mo 3.14936414 6.31129941 31.50870129 0.00000314 -0.00000224 -0.00000018 Mo 4.72443491 7.88636325 33.08378017 0.00000292 -0.00000136 0.00000031 Mo 3.14936793 6.31128862 34.65882555 0.00000179 -0.00000025 -0.00000051 Mo 4.72443957 7.88635231 36.23396438 0.00000144 0.00000130 -0.00000159 Mo 3.14937317 6.31127802 37.80883439 -0.00000005 0.00000226 -0.00000105 Mo 4.72444505 7.88634252 39.38447880 -0.00000165 0.00000302 -0.00000035 Mo 3.14937836 6.31126945 40.95788132 -0.00000195 0.00000464 -0.00000109 Mo 4.72444964 7.88633550 42.53806850 -0.00000325 0.00000490 -0.00000172 Mo 3.14938189 6.31126439 44.09803047 -0.00000334 0.00000476 -0.00000134 Mo 4.72445187 7.88633241 45.66257141 -0.00000362 0.00000470 -0.00000119 Mo 6.29950790 0.01104946 15.77976705 -0.00000206 -0.00000227 0.00000158 Mo 7.87457655 1.58611807 17.34430801 -0.00000175 -0.00000225 0.00000161 Mo 6.29950658 0.01104799 18.90427003 -0.00000111 -0.00000197 0.00000119 Mo 7.87457458 1.58611568 20.48445722 -0.00000078 -0.00000198 0.00000096 Mo 6.29950417 0.01104464 22.05785973 -0.00000021 -0.00000169 0.00000118 Mo 7.87457204 1.58611145 23.63350419 0.00000089 -0.00000225 0.00000114 Mo 6.29950183 0.01103947 25.20837426 0.00000218 -0.00000252 0.00000077 Mo 7.87457031 1.58610527 26.78351308 0.00000247 -0.00000291 0.00000034 Mo 6.29950101 0.01103220 28.35855845 0.00000227 -0.00000245 0.00000019 Mo 7.87457056 1.58609688 29.93363737 0.00000270 -0.00000184 0.00000018 Mo 6.29950244 0.01102281 31.50870130 0.00000283 -0.00000160 -0.00000039 Mo 7.87457322 1.58608663 33.08378021 0.00000232 -0.00000033 -0.00000057 Mo 6.29950624 0.01101204 34.65882553 0.00000127 -0.00000027 -0.00000000 Mo 7.87457791 1.58607572 36.23396434 0.00000024 0.00000163 -0.00000064 Mo 6.29951144 0.01100143 37.80883442 0.00000029 0.00000264 -0.00000173 Mo 7.87458330 1.58606595 39.38447883 -0.00000070 0.00000299 -0.00000114 Mo 6.29951665 0.01099290 40.95788129 -0.00000191 0.00000392 -0.00000054 Mo 7.87458789 1.58605899 42.53806848 -0.00000227 0.00000337 -0.00000123 Mo 6.29952016 0.01098781 44.09803048 -0.00000294 0.00000485 -0.00000154 Mo 7.87459015 1.58605584 45.66257142 -0.00000339 0.00000449 -0.00000135 Mo 6.29950789 3.16118774 15.77976707 -0.00000199 -0.00000224 0.00000126 Mo 7.87457653 4.73625636 17.34430802 -0.00000141 -0.00000209 0.00000138 Mo 6.29950659 3.16118630 18.90427001 -0.00000123 -0.00000233 0.00000164 Mo 7.87457457 4.73625397 20.48445720 -0.00000055 -0.00000204 0.00000155 Mo 6.29950415 3.16118294 22.05785973 0.00000017 -0.00000197 0.00000118 Mo 7.87457205 4.73624973 23.63350422 0.00000064 -0.00000196 0.00000031 Mo 6.29950187 3.16117775 25.20837427 0.00000117 -0.00000211 0.00000058 Mo 7.87457033 4.73624353 26.78351305 0.00000192 -0.00000226 0.00000114 Mo 6.29950099 3.16117048 28.35855845 0.00000280 -0.00000238 0.00000018 Mo 7.87457054 4.73623518 29.93363739 0.00000312 -0.00000228 -0.00000036 Mo 6.29950244 3.16116109 31.50870128 0.00000266 -0.00000150 -0.00000003 Mo 7.87457322 4.73622496 33.08378020 0.00000238 -0.00000136 -0.00000027 Mo 6.29950619 3.16115035 34.65882557 0.00000238 -0.00000056 -0.00000078 Mo 7.87457786 4.73621403 36.23396435 0.00000153 0.00000104 -0.00000087 Mo 6.29951146 3.16113972 37.80883437 -0.00000015 0.00000251 -0.00000050 Mo 7.87458335 4.73620422 39.38447882 -0.00000189 0.00000342 -0.00000089 Mo 6.29951666 3.16113118 40.95788135 -0.00000222 0.00000412 -0.00000183 Mo 7.87458789 4.73619721 42.53806849 -0.00000247 0.00000502 -0.00000143 Mo 6.29952020 3.16112609 44.09803046 -0.00000375 0.00000492 -0.00000094 Mo 7.87459016 4.73619412 45.66257142 -0.00000368 0.00000481 -0.00000128 Mo 6.29950789 6.31132603 15.77976706 -0.00000201 -0.00000206 0.00000147 Mo 7.87457655 7.88639464 17.34430801 -0.00000185 -0.00000206 0.00000157 Mo 6.29950660 6.31132457 18.90427003 -0.00000149 -0.00000190 0.00000134 Mo 7.87457456 7.88639226 20.48445723 -0.00000027 -0.00000205 0.00000080 Mo 6.29950415 6.31132125 22.05785973 0.00000024 -0.00000250 0.00000119 Mo 7.87457204 7.88638803 23.63350417 0.00000090 -0.00000230 0.00000155 Mo 6.29950185 6.31131604 25.20837427 0.00000178 -0.00000234 0.00000074 Mo 7.87457033 7.88638181 26.78351310 0.00000203 -0.00000213 -0.00000001 Mo 6.29950099 6.31130877 28.35855846 0.00000282 -0.00000238 0.00000001 Mo 7.87457055 7.88637347 29.93363737 0.00000287 -0.00000232 0.00000018 Mo 6.29950246 6.31129939 31.50870128 0.00000217 -0.00000172 0.00000012 Mo 7.87457322 7.88636322 33.08378020 0.00000224 -0.00000071 -0.00000028 Mo 6.29950623 6.31128855 34.65882557 0.00000144 0.00000142 -0.00000085 Mo 7.87457790 7.88635231 36.23396435 0.00000047 0.00000116 -0.00000099 Mo 6.29951146 6.31127804 37.80883438 -0.00000011 0.00000175 -0.00000063 Mo 7.87458330 7.88634252 39.38447882 -0.00000056 0.00000314 -0.00000085 Mo 6.29951663 6.31126950 40.95788134 -0.00000140 0.00000350 -0.00000158 Mo 7.87458789 7.88633552 42.53806849 -0.00000244 0.00000452 -0.00000146 Mo 6.29952017 6.31126442 44.09803046 -0.00000301 0.00000390 -0.00000108 Mo 7.87459015 7.88633241 45.66257142 -0.00000338 0.00000475 -0.00000125