36
lattice vectors: 7.76991940 0.0 0.0 3.88495970 6.72894716 0.0 0.0 0.0 7.32108974 Energy/monomer= -0.596 +- 0.005 eV
H 5.184886000 4.477113000 1.451336000
H 6.485207000 6.728804000 5.111840000
H 5.646641000 3.677423000 0.151458000
H 7.408643000 6.728826000 3.811934000
H 6.006336000 5.930382000 7.206082000
H 4.254016000 4.492389000 3.545621000
H 5.637134000 5.290906000 3.545561000
H 6.006351500 7.527438239 7.206046000
H 5.169661000 0.000059000 1.451250000
H 6.469712000 2.251911000 5.111942000
H 4.246191000 0.000036000 0.151391000
H 6.007997000 3.051532000 3.812004000
H 7.400629000 2.236535000 7.206186000
H 6.017510000 1.438031000 7.206104000
H 5.648503000 0.798475000 3.545549000
H 5.648467500 -0.798606239 3.54548600
H 1.300070000 2.251708000 1.451386000
H 1.761705000 3.051525000 0.151538000
H 1.752253000 1.437762000 3.545639000
H 0.369153000 2.236324000 3.545642000
H 3.515578000 4.492448000 7.206132000
H 2.584635000 4.476974000 5.111941000
H 2.123031000 3.677207000 3.812053000
H 2.132479000 5.290987000 7.206126000
O 5.170923000 4.501277000 0.454136000
O 5.190110000 4.468058000 3.200629000
O 6.457320500 6.728763239 4.114636000
O 6.495460500 6.728896239 6.861091000
O 5.197547000 0.000077000 0.454036000
O 6.483716000 2.227704000 4.114745000
O 6.464527000 2.260908000 6.861236000
O 5.159428000 -0.000040000 3.20050500
O 1.286108000 2.227586000 0.454183000
O 1.305270000 2.260631000 3.200708000
O 2.598628000 4.501124000 4.114745000
O 2.579445000 4.468082000 6.861261000
