{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3479845 1.574623 0.916639 ] [ 1.0353426 -1.1181125 -1.5886362 ] [ -0.0256537 -1.4880627 -1.0886174 ] [ -0.0759601 0.1767 -0.2127749 ] [ -0.3576977 -0.8155642 0.7204495 ] [ 0.5599152 -0.4552224 0.3217804 ] [ 1.2120381 2.1256388 0.9311596 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.761885871900778e-09 2.522824157173959e-09 1.468617575513491e-09 ] [ 1.658801708238286e-09 -1.79141370692424e-09 -2.545275778596553e-09 ] [ -4.110175837701697e-11 -2.384139268224524e-09 -1.744157347276082e-09 ] [ -1.217014963336301e-10 2.8310460889536e-10 -3.409029702730579e-10 ] [ -5.730948922539321e-10 -1.306677894001455e-09 1.15428734536705e-09 ] [ 8.97083043070556e-10 -7.293466865444659e-10 5.155490339116724e-10 ] [ 1.941899107338852e-09 3.405648789625367e-09 1.49188214135348e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.844103 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.179375788734715e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5745036 3.6542024 3.3360256 ] [ 5.4153682 2.4043449 1.7737316 ] [ 3.1279965 1.6333008 1.9909333 ] [ 5.6063859 2.4090174 4.1498637 ] [ 3.3778718 1.6578141 4.3614763 ] [ 3.5961043 3.8281146 1.1905593 ] [ 4.8618757 4.4252439 3.1188197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5745036e-10 3.6542024e-10 3.3360256e-10 ] [ 5.4153682e-10 2.4043449e-10 1.7737316e-10 ] [ 3.1279965e-10 1.6333008e-10 1.9909333e-10 ] [ 5.606385900000001e-10 2.4090174e-10 4.1498637e-10 ] [ 3.3778718e-10 1.6578141e-10 4.3614763e-10 ] [ 3.5961043e-10 3.8281146e-10 1.1905593e-10 ] [ 4.8618757e-10 4.4252439e-10 3.1188197e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.8e-06 1.1e-06 -3.7e-06 ] [ -1.3e-06 -1.08e-05 -7.2e-06 ] [ 3.9e-06 -5.2e-06 -3.7e-06 ] [ 9.7e-06 1.11e-05 -1.12e-05 ] [ -1.9e-05 2.7e-06 -5.8e-06 ] [ -7e-07 -1e-05 1.91e-05 ] [ -2.5e-06 1.11e-05 1.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.570133088384e-14 1.76239428288e-15 -5.928053496960001e-15 ] [ -2.08282960704e-15 -1.730350750464e-14 -1.153567166976e-14 ] [ 6.24848882112e-15 -8.33131842816e-15 -5.928053496960001e-15 ] [ 1.554111322176e-14 1.778416049088e-14 -1.794437815296e-14 ] [ -3.04413557952e-14 4.32587687616e-15 -9.292624400640001e-15 ] [ -1.12152363456e-15 -1.6021766208e-14 3.060157345728e-14 ] [ -4.005441552e-15 1.778416049088e-14 2.002720776e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864800740979e-18 } }