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ÎÒÔÚangle_styleÃüÁî¿ÉÒÔÑ¡Ôñharmonic,¶ÔÓ¦µÄangle_coeffͨ¹ý²éÎÄÏ×Ò²¿ÉÒÔÕÒµ½¡£µ«ÊÇÎÒÓÐÒ»¸öÒÉÎÊ£¬³ýÁËÕâÁ½¸öÃüÁîÒÔÍ⣬ûÓиоõµ½Óж¨Òå˵Õâ¸ö½ÇÊÇÓÉÄÄÈý¸öÔ­×Ó×é³É£¬±ÈÈçÎÒÒª¶¨ÒåO-P-OµÄÈýÌåÍäÇúÊÆ£¨Here it is defined for each O-P-O bond and takes the form of a harmonic angle-bending potential about the central P ion£©
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angle_style harmonic
angle_coeff 1 0.6613 109.47
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Angles section:
• one line per angle
• line syntax: ID type atom1 atom2 atom3
ID = number of angle (1-Nangles)
type = angle type (1-Nangletype)
atom1,atom2,atom3 = IDs of 1st,2nd,3rd atoms in angle
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