Compression data for volatile-bearing and volatile-free pyrolite melts

Pressure-volume-density data for volatile-bearing and volatile-free pyrolite melts, separated as individual Excel sheets with the composition and temperature in the title of each sheet. As noted in the headers of each sheet, the first column is the length of the cubic supercell (units: Å), the second column is the volume of the supercell (units: Å3), the third column is the density (units: g/cm3), the fourth column is the pressure (units: GPa), the fifth column is the standard deviation on pressure (units: GPa), the sixth column is the temperature (units: K), and the seventh column is the standard deviation on temperature (units: K). Standard deviations on pressure and temperature were determined from the fluctuations of the simulations.

本数据集包含含挥发分与不含挥发分的方辉橄榄岩（pyrolite）熔体的压力-体积-密度数据，以独立Excel工作表形式存储，每张工作表的标题均标注了对应的组分与温度信息。如各工作表表头所示，各列依次为：第一列为立方超晶胞的边长，单位：埃（Å）；第二列为超晶胞体积，单位：立方埃（ų）；第三列为密度，单位：克每立方厘米（g/cm³）；第四列为压力，单位：吉帕（GPa）；第五列为压力的标准偏差，单位：吉帕（GPa）；第六列为温度，单位：开尔文（K）；第七列为温度的标准偏差，单位：开尔文（K）。压力与温度的标准偏差通过模拟过程中的波动计算得到。