Stage_1/POSCAR output for 595: buLK5_FeWO4_001_2L_opt
Status: finishedbuLK5_FeWO4_001_2L_opt 1.0 11.26000000 0.00000000 0.00000000 0.00000000 11.44080000 0.00000000 0.00000000 0.00000000 20.25320000 Fe W O 8 8 32 Direct 0.34113000 0.33034000 0.16637000 # 1 Fe1 0.33939000 0.16937000 0.04363000 # 2 Fe2 0.75871000 0.33034000 0.16637000 # 3 Fe13 0.75698000 0.16937000 0.04363000 # 4 Fe14 0.34113000 0.83034000 0.16637000 # 5 Fe25 0.33939000 0.66937000 0.04363000 # 6 Fe26 0.75871000 0.83034000 0.16637000 # 7 Fe37 0.75698000 0.66937000 0.04363000 # 8 Fe38 0.13060000 0.41222000 0.04363000 # 9 W3 0.13233000 0.08749000 0.16637000 # 10 W4 0.54819000 0.41222000 0.04363000 # 11 W15 0.54992000 0.08749000 0.16637000 # 12 W16 0.13060000 0.91222000 0.04363000 # 13 W27 0.13233000 0.58749000 0.16637000 # 14 W28 0.54819000 0.91222000 0.04363000 # 15 W39 0.54992000 0.58749000 0.16637000 # 16 W40 0.44052000 0.31225000 0.00724000 # 17 O5 0.23826000 0.31225000 0.08001000 # 18 O6 0.24000000 0.18746000 0.20276000 # 19 O7 0.44225000 0.18746000 0.12999000 # 20 O8 0.45587000 0.05451000 0.00000000 # 21 O9 0.22291000 0.05451000 0.08725000 # 22 O10 0.45761000 0.44520000 0.12275000 # 23 O11 0.22465000 0.44520000 0.21000000 # 24 O12 0.85811000 0.31225000 0.00724000 # 25 O17 0.65585000 0.31225000 0.08001000 # 26 O18 0.65759000 0.18746000 0.20276000 # 27 O19 0.85984000 0.18746000 0.12999000 # 28 O20 0.87346000 0.05451000 0.00000000 # 29 O21 0.64050000 0.05451000 0.08725000 # 30 O22 0.87519000 0.44520000 0.12275000 # 31 O23 0.64223000 0.44520000 0.21000000 # 32 O24 0.44052000 0.81225000 0.00724000 # 33 O29 0.23826000 0.81225000 0.08001000 # 34 O30 0.24000000 0.68746000 0.20276000 # 35 O31 0.44225000 0.68746000 0.12999000 # 36 O32 0.45587000 0.55451000 0.00000000 # 37 O33 0.22291000 0.55451000 0.08725000 # 38 O34 0.45761000 0.94520000 0.12275000 # 39 O35 0.22465000 0.94520000 0.21000000 # 40 O36 0.85811000 0.81225000 0.00724000 # 41 O41 0.65585000 0.81225000 0.08001000 # 42 O42 0.65759000 0.68746000 0.20276000 # 43 O43 0.85984000 0.68746000 0.12999000 # 44 O44 0.87346000 0.55451000 0.00000000 # 45 O45 0.64050000 0.55451000 0.08725000 # 46 O46 0.87519000 0.94520000 0.12275000 # 47 O47 0.64223000 0.94520000 0.21000000 # 48 O48