32 Lattice="9.681831359863281 0.0 0.0 0.0 9.681831359863281 0.0 0.0 0.0 9.681831359863281" Properties=species:S:1:pos:R:3:Z:I:1:forces:R:3 energy=-12.23942523631233 pbc="F F F" Ca 0.02829950 0.00824821 0.09556614 20 -0.08693384 0.00696886 -0.12894233 Ca 2.59318799 2.47664818 0.03168261 20 -1.93247220 -0.64842607 -0.59436683 Ca 2.62101047 0.16169083 2.19963849 20 -3.04297570 -1.29900034 2.87020658 Ca 0.21594702 2.44396869 2.49222078 20 -1.12135282 0.96266287 -1.55982768 Ca 4.74856910 0.04681095 0.22779610 20 3.02377218 -0.46016380 -2.42897430 Ca 7.16557784 2.49819779 -0.08179088 20 0.03254786 -0.03357360 0.19986092 Ca 7.44102766 0.17689504 2.64902200 20 -0.19142429 -0.41549927 -0.41255071 Ca 4.66347215 2.52722848 2.66504086 20 1.08691278 0.15786507 -0.68063817 Ca 0.00785122 5.04419660 0.07147162 20 -0.21403950 -0.75608771 -0.19696448 Ca 2.50951596 7.08756346 -0.01234415 20 -0.25510344 0.83659377 -0.20009608 Ca 2.56914010 4.90320347 2.57991434 20 -2.37073087 -1.05225988 -1.64781936 Ca -0.20695327 7.07099145 2.61348710 20 0.17177061 2.09687155 -1.66880870 Ca 4.61253148 4.68086585 -0.12284269 20 1.90244230 1.25810833 -0.02732753 Ca 7.17454998 7.03691709 -0.11269234 20 -0.15112951 0.45818923 -0.54796692 Ca 7.38274761 5.05734388 2.35021214 20 -0.17844842 -0.51941623 0.58042724 Ca 4.67636988 7.24344019 2.46297173 20 1.80487788 1.32695926 -1.59432839 Ca -0.07126092 0.22106299 4.73295620 20 -1.64491598 -1.96875855 0.38691563 Ca 2.19275488 2.18163769 4.81731999 20 1.91372002 2.92288231 0.75661918 Ca 2.36955406 0.13937999 7.22533170 20 -0.50657125 -0.65642645 1.15846022 Ca 0.02179170 2.64345009 7.30882227 20 -1.11811861 -0.89030524 0.12201133 Ca 4.56540325 0.12739449 4.92997435 20 1.05963707 -1.21717985 -1.01164248 Ca 7.17382966 2.62995333 4.66721042 20 0.35809438 0.29568747 0.73173197 Ca 7.08060002 -0.06035609 7.03090063 20 0.46655121 -0.19776792 0.09843444 Ca 4.87812475 2.37430188 7.17620829 20 -0.28540490 1.07038386 0.39666210 Ca -0.22905682 5.04766007 4.77253336 20 0.11768055 -2.07822164 1.81856440 Ca 2.61950932 7.15594571 4.74483221 20 -3.71437838 2.85601669 1.05328316 Ca 2.15127868 4.86448080 7.24587305 20 1.08452203 0.38787000 -0.10127073 Ca -0.07895765 7.35820003 7.28237436 20 -0.00508042 0.15760888 -0.05589491 Ca 4.71421799 5.09008106 4.73076704 20 3.12747607 -3.17912954 1.40022128 Ca 7.30951784 7.50497117 4.94976609 20 -0.14127624 0.27503321 -0.44398848 Ca 7.13929859 5.03386487 7.03336935 20 0.39398617 -0.58188023 0.49612587 Ca 4.59314868 7.07553417 7.20379145 20 0.41636524 0.88439495 1.23188376