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我是自动计算脚本，我的核心执行逻辑如下：
echo 'grep -$val "magnetization (x)" OUTCAR >input' >>input-magnetic
echo 'tail -$atomsum input > input1' >>input-magnetic
echo 'mv input1 input' >>input-magnetic
echo 'declare -A dict #储存离子的次序和磁矩' >>input-magnetic
echo 'for ((i=1;i<=$atomsum;i++))' >>input-magnetic
echo 'do' >>input-magnetic
echo 'dict[$i]="$(sed -n "${i}p" input|awk'" '"'{print $5}'"'"')"' >>input-magnetic
echo 'done' >>input-magnetic
echo 'declare -i mag_num=0' >>input-magnetic
echo 'for ((i=1;i<=$atomsum;i++)) #返回磁性原子数量'>>input-magnetic
echo 'do '>>input-magnetic
echo 'if [ "${dict[$i]}" \> 0.5 ]'>>input-magnetic
echo 'then'>>input-magnetic
echo 'mag_num=$((mag_num + 1))'>>input-magnetic
echo 'fi'>>input-magnetic
echo 'done'>>input-magnetic
echo 'echo "$mag_num" >mag_num'>>input-magnetic
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