add an example for hti_liq of 2 atomic types

Author: Yi-FanLi

examples/hti.SiO2-liq.json

@@ -0,0 +1,58 @@
+{
+  "equi_conf": "nvt/out.lmp",
+  "ncopies": [
+    1,
+    1,
+    1
+  ],
+  "lambda_soft_on": [
+    "0.00001:0.01000:0.0005",
+    "0.01000:0.04000:0.0100",
+    "0.04000:0.20000:0.0200",
+    "0.20000:0.40000:0.0500",
+    "0.40000:0.99999:0.0800",
+    "0.99999"
+  ],
+  "lambda_deep_on": [
+    "0.00001:0.0100:0.005",
+    "0.01000:0.0400:0.010",
+    "0.04000:0.2000:0.020",
+    "0.20000:0.4000:0.050",
+    "0.40000:0.9999:0.080",
+    "0.99999"
+  ],
+  "lambda_soft_off": [
+    "0.00001:0.01000:0.005",
+    "0.01000:0.04000:0.010",
+    "0.04000:0.20000:0.020",
+    "0.20000:0.40000:0.050",
+    "0.40000:0.99999:0.080",
+    "0.99999"
+  ],
+  "protect_eps": 1e-6,
+  "model": "graph.pb",
+  "mass_map": [
+       28.08,15.999
+  ],
+  "soft_param": {
+    "sigma_0_0": 3.2,
+    "sigma_0_1": 2.95,
+    "sigma_1_1": 2.70,
+    "epsilon_0_0": 0.0860,
+    "epsilon_0_1": 0.2776,
+    "epsilon_1_1": 0.0392,
+    "activation_0_0": 0.3,
+    "activation_0_1": 0.5,
+    "activation_1_1": 0.7,
+    "n": 1,
+    "alpha_lj": 0.5,
+    "rcut": 6
+  },
+  "nsteps": 40000,
+  "timestep": 0.002,
+  "thermo_freq": 10,
+  "dump_freq": 1000,
+  "stat_skip": 100,
+  "stat_bsize": 10,
+  "temp": 2500
+}