The carbon is an important element which belongs to group 14 of the periodic table and shows multiple applications in our daily life as well as at the industrial scale. It is a promising element which represents the liquid–liquid phase transition (LLPT) phenomena. Additionally, it shows interesting anomalous behavior with some usual thermodynamic properties such as heat capacity ([Formula: see text]) near about the liquid–liquid phase coexistence temperature ([Formula: see text]). Hence, it is quite challenging and difficult to simulate carbon at or near the liquid–liquid phase coexistence temperature. This anomalous behavior also creates complications in computing the precise and equilibrated thermodynamic properties close to [Formula: see text]. Therefore, we have studied the thermodynamic behavior of liquid and solid (diamond) states of carbon at liquid–liquid phase coexistence temperature ([Formula: see text]) while transforming from liquid to solid state and achieving the equilibrated liquid and solid states individually. Additionally, we have also performed a similar analysis on melting temperature ([Formula: see text]) to compare the system trends and its thermodynamics behavior in liquid and solid states, respectively. Furthermore, all the predicted thermodynamic results are quite consistent and able to show the equilibrium changes at the liquid–liquid phase coexistence temperature ([Formula: see text]) and melting temperature ([Formula: see text]), respectively.
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