64 Lattice="70.0 0.0 0.0 0.0 70.0 0.0 0.0 0.0 70.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-65.5529316121782 stress="0.0001587604256764506 8.144999679165471e-05 3.768218005249397e-05 8.144999679165471e-05 0.0002545119695341517 2.636101918976794e-05 3.768218005249397e-05 2.636101918976794e-05 0.00015682180048005637" free_energy=-65.5529316121782 pbc="F F F" N 35.37796229 34.93413389 35.13194932 0.17491516 1.10116888 1.05578956 N 36.10633424 36.64330249 36.58072186 -1.28083569 -0.00000610 0.70281942 N 37.82745953 37.91319659 34.89612354 0.19814044 -0.25237758 0.71820427 N 38.98805177 38.44047419 36.71883780 0.27983772 -2.73585233 -3.12079581 N 37.61317287 34.56594767 37.73125055 -1.02359351 2.94075848 1.30116008 N 38.09588646 35.85444589 39.12485590 1.49604377 -4.57555753 -2.56222441 N 34.94243362 37.29458541 37.73129471 1.11374231 2.00170299 -0.83773298 N 35.81446472 38.51513900 38.89948215 2.52782259 1.10411085 -1.40228487 N 40.36439851 34.62254819 35.39374367 0.07856934 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35.28334379 42.50761866 0.20073083 2.14374961 -2.01727539 N 38.66445021 36.27028552 43.10324546 -3.44004875 -1.90800135 1.30218708 N 35.25952489 37.96111631 42.96543266 3.43747273 5.05872906 3.89034169 N 36.08112972 38.79163954 43.68171700 -3.87881148 -4.00777174 -3.91701804 N 39.71417162 34.92291825 39.75773099 -1.60128645 2.63291378 0.59641053 N 40.97418816 36.53489687 41.69197738 1.28353744 2.90151969 0.33502749 N 42.29388832 37.89534354 40.07023254 2.77221054 -1.10025102 2.04170384 N 43.50522559 39.15429937 41.22975650 -2.13459802 -3.26748093 -2.80934815 N 42.60299683 34.96836453 42.85886605 2.11180026 2.52541056 1.22051069 N 43.98166904 36.19237275 43.61531311 -2.37916605 -2.13864364 -1.30048208 N 40.27221949 37.83737120 42.44126811 1.95003740 -3.90408186 -0.41966002 N 41.62283489 38.77776773 43.66501309 4.99696363 8.98323611 -12.01571562 N 34.87822944 39.76917747 39.74019498 -1.74326621 -2.77047050 0.77788176 N 36.68379434 41.30253863 40.83347222 5.12585538 3.99139477 0.11284136 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