2D scan of cryst_R2SCAN-D3paw900_MA (opttol=-1): x1 x2 E V1 a b c alp bet gam file 4.9629 4.8787 -7.38334 9.5483 6.959 6.959 16.930 98.497 98.497 89.021 cg3 4.9734 4.8616 -7.38328 9.5228 6.971 6.971 16.852 98.748 98.748 88.703 32 4.9837 4.8957 -7.38327 9.5536 6.985 6.985 16.835 98.727 98.727 88.979 14 4.9673 4.8727 -7.38327 9.5183 6.962 6.962 16.892 98.807 98.807 88.899 11 4.9674 4.8563 -7.38327 9.5161 6.962 6.962 16.889 98.831 98.831 88.710 21 4.9881 4.8954 -7.38327 9.5550 6.991 6.991 16.799 98.630 98.630 88.926 44 4.9728 4.8435 -7.38327 9.5249 6.970 6.970 16.867 98.818 98.818 88.502 41 4.9864 4.9187 -7.38327 9.5659 6.989 6.989 16.836 98.689 98.689 89.213 24 4.9694 4.8800 -7.38327 9.5152 6.965 6.965 16.867 98.750 98.750 88.959 22 4.9817 4.8649 -7.38326 9.5249 6.982 6.982 16.793 98.664 98.664 88.649 54 4.9844 4.9200 -7.38326 9.5478 6.986 6.986 16.811 98.601 98.601 89.252 34 4.9913 4.8625 -7.38326 9.5767 6.996 6.996 16.823 98.723 98.723 88.513 43 4.9822 4.8816 -7.38326 9.5365 6.983 6.983 16.813 98.693 98.693 88.834 15 4.9701 4.8409 -7.38326 9.5082 6.966 6.966 16.855 98.807 98.807 88.503 51 4.9725 4.9012 -7.38326 9.5341 6.969 6.969 16.880 98.753 98.753 89.170 12 4.9796 4.8902 -7.38326 9.5388 6.979 6.979 16.830 98.647 98.647 88.962 33 4.9931 4.8885 -7.38326 9.5609 6.998 6.998 16.774 98.619 98.619 88.791 55 4.9763 4.9157 -7.38326 9.5321 6.974 6.974 16.844 98.665 98.665 89.295 23 4.9776 4.9213 -7.38326 9.5418 6.976 6.976 16.854 98.674 98.674 89.344 13 4.9845 4.9060 -7.38326 9.5331 6.986 6.986 16.782 98.590 98.590 89.088 45 4.9753 4.8116 -7.38325 9.5135 6.973 6.973 16.826 98.774 98.774 88.112 52 4.9794 4.8358 -7.38325 9.5164 6.979 6.979 16.794 98.675 98.675 88.342 53 4.9771 4.8134 -7.38325 9.5273 6.976 6.976 16.837 98.780 98.780 88.113 42 4.9840 4.9258 -7.38325 9.5360 6.985 6.985 16.790 98.574 98.574 89.323 35 4.9603 4.8124 -7.38325 9.4768 6.952 6.952 16.866 98.818 98.818 88.287 31 4.9841 4.9384 -7.38324 9.5471 6.985 6.985 16.812 98.595 98.595 89.467 25 4.9625 4.8783 -7.38321 9.5462 6.959 6.959 16.929 98.497 98.497 89.020 cg3_chk ----------------------------------------------------------------------------------------------- 4.9785 4.8782 -7.38326 9.5329 6.978 6.978 16.833 98.706 98.706 88.837 Mean 0.0081 0.0372 0.00001 0.0212 0.011 0.011 0.034 0.080 0.080 0.390 StandardDeviation 4.9603 4.8116 -7.38328 9.4768 6.952 6.952 16.774 98.574 98.574 88.112 min 4.9931 4.9384 -7.38324 9.5767 6.998 6.998 16.892 98.831 98.831 89.467 max