{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.301375 1.527111 2.019819 ] [ 1.794175 5.106546 1.47688 ] [ 0.9503771 3.237781 1.232452 ] [ 3.392468 3.669062 0.7528338 ] [ 3.101246 3.595776 2.776891 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.301375e-10 1.527111e-10 2.019819e-10 ] [ 1.794175e-10 5.106546e-10 1.47688e-10 ] [ 9.503771e-11 3.237781e-10 1.232452e-10 ] [ 3.392468e-10 3.669062e-10 7.528338e-11 ] [ 3.101246e-10 3.595776e-10 2.776891e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1870198 0.0645449 0.0514454 ] [ 0.6077038 3.4168214 0.5187146 ] [ -2.4836412 -2.861012 -0.885662 ] [ 1.3177395 -0.4089094 -3.2578354 ] [ 0.3711781 -0.2114449 3.5733375 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.996387511866918e-10 1.034123297718739e-10 8.242461712770433e-11 ] [ 9.736488207313192e-10 5.474351364529125e-09 8.310724049876238e-10 ] [ -3.979231865095657e-09 -4.583846538228249e-09 -1.41898695033097e-09 ] [ 2.111251419204682e-09 -6.551450807053555e-10 -5.219627712294616e-09 ] [ 5.946928739729645e-10 -3.387720753673939e-10 5.72511780072792e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.093705 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.097842803065206e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3303853 1.774632 2.0790863 ] [ 1.8181951 5.0587311 1.7644993 ] [ 0.8377578 3.1202278 0.8402272 ] [ 3.2425149 3.4695498 0.5716819 ] [ 3.3107881 3.7131354 3.0033812 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3303853e-10 1.774632e-10 2.0790863e-10 ] [ 1.8181951e-10 5.0587311e-10 1.7644993e-10 ] [ 8.377578e-11 3.1202278e-10 8.402272e-11 ] [ 3.2425149e-10 3.4695498e-10 5.716819e-11 ] [ 3.3107881e-10 3.7131354e-10 3.0033812e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.55e-05 3.11e-05 -7.1e-06 ] [ -1.55e-05 -1.81e-05 -6.8e-06 ] [ 3.76e-05 4.6e-06 3.35e-05 ] [ 8.1e-06 2.3e-06 2.67e-05 ] [ -1.47e-05 -1.99e-05 -4.63e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.48337376224e-14 4.982769290688e-14 -1.137545400768e-14 ] [ -2.48337376224e-14 -2.899939683648e-14 -1.089480102144e-14 ] [ 6.024184094208e-14 7.370012455680001e-15 5.36729167968e-14 ] [ 1.297763062848e-14 3.68500622784e-15 4.277811577536e-14 ] [ -2.355199632576e-14 -3.188331475392e-14 -7.418077754303999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }