32 Lattice="12.6901836395 0.0 0.0 0.0 12.6901836395 0.0 0.0 0.0 12.6901836395" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-17.0266988034 pbc="F F F" Ba -0.09241926 0.11428679 0.06183626 56 -0.33363790 -0.30955841 -0.38399815 Ba 3.26874352 3.01540800 0.11423619 56 -0.00559138 0.46451070 -0.63567650 Ba 2.99612587 -0.08878908 3.07827135 56 0.16717051 -0.58927776 0.50370637 Ba -0.01764180 3.18820329 3.02949968 56 -0.59599538 0.27512001 0.14583820 Ba 5.99527818 -0.11683345 0.16710781 56 0.28217786 -0.49991875 -0.44417240 Ba 9.57183880 2.92976211 0.12281208 56 0.41370746 0.17371919 -0.62553749 Ba 9.34099289 0.19398563 3.31452687 56 0.62815340 -0.91312515 -0.33540888 Ba 6.58286624 3.23400662 3.06079087 56 -0.66360848 0.04537403 0.48781514 Ba 0.22535006 6.69717791 -0.00245933 56 -0.43317875 -0.61599116 -0.59983354 Ba 3.22667286 9.51103048 0.21952575 56 0.19659109 0.60943113 -0.71950770 Ba 3.37917458 6.18915440 3.10464722 56 -0.13585935 -0.37865480 0.16603184 Ba 0.00891708 9.42451841 2.98122594 56 -0.46155123 0.55537801 0.46350741 Ba 6.43269600 6.36635023 0.13651755 56 -0.12398643 -0.16873500 -0.90421681 Ba 9.61309906 9.54475091 -0.02387056 56 0.11838045 0.21109239 -0.09926823 Ba 9.33506461 6.35891227 3.14424589 56 0.76790059 0.05935039 0.23001384 Ba 5.95246219 9.36895105 3.18389256 56 0.67056103 0.87404534 0.06123997 Ba -0.17452685 0.10880270 6.44774571 56 -0.45351006 -0.42920680 -0.33958356 Ba 3.12042459 2.98793639 6.09256826 56 0.48378465 0.29165829 0.07201071 Ba 3.04026941 0.00476485 9.36487220 56 0.25916599 -0.54749536 0.31232780 Ba -0.07641284 2.95918380 9.59325361 56 -0.32966817 0.43361864 0.33155075 Ba 6.59923912 -0.08767501 6.27302704 56 -0.58465602 -0.40347507 0.18245658 Ba 9.73412664 2.94415018 6.16596460 56 0.38913523 0.67526490 0.22902243 Ba 9.67068537 0.35085513 9.58716549 56 0.15275919 -0.19160852 0.31878901 Ba 5.98093742 3.12929136 9.70175849 56 0.10801204 0.19223420 0.15013184 Ba 0.35484818 6.35581536 6.09829761 56 -0.64625499 -0.21743447 0.10107614 Ba 3.29354462 9.45501585 6.22003471 56 -0.25770834 0.70901091 0.15719471 Ba 2.99104966 6.39488035 9.56938773 56 0.20037822 -0.41365621 0.35770805 Ba 0.04187014 9.37349557 9.57625798 56 -0.31228610 0.30974559 0.11704525 Ba 6.35646403 6.57892566 6.27476739 56 -0.18470288 -0.85420748 0.05413707 Ba 9.63148452 9.43830467 6.48768097 56 0.31266243 0.48197435 -0.25250767 Ba 9.34987945 6.20889520 9.32376782 56 0.39771258 -0.32272801 0.43796622 Ba 6.20787052 9.30220969 9.58940113 56 -0.02605726 0.49354488 0.46014159