BFGSMIN 1.0D-6 comment BULK DEBUG QUIPZ 6 QUIPLATT 7.88 0.0 0.0 0.0 7.88 0.0 0.0 0.0 7.88 QUIP_PARAM_FILE Carbon_GAP_20.xml QUIP_INIT_ARGS_STR xml_label=GAP_2020_4_27_60_2_50_5_436 UPDATES 200 BFGSSTEPS 1000 MAXERISE 1.0D-4 POINTS QI 0.1941842208 0.0275056602 -0.4946409648 QI 1.8605367912 2.2119864673 -0.6872343495 QI 2.8125767047 -0.1600724374 0.3387941639 QI 2.3811010719 1.8242531989 1.6300161821 QI 2.0801844152 0.2075341650 -1.8284338333 QI 0.0566835944 1.9907716019 0.8901530961 QI 0.9018350201 -0.1149692629 1.8009863498