{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.1032294 0.9160098 0.6340424 ] [ 0.5975465 2.782152 1.021804 ] [ 1.919093 1.0464 1.488365 ] [ 2.284896 2.976774 2.795304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.032294e-11 9.160098e-11 6.340424e-11 ] [ 5.975465e-11 2.782152e-10 1.021804e-10 ] [ 1.919093e-10 1.0464e-10 1.488365e-10 ] [ 2.284896e-10 2.976774e-10 2.795304e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.540666 -3.0101377 -1.8698573 ] [ 0.2319037 4.2423031 0.7421699 ] [ 3.901474 -0.8506531 1.8727823 ] [ -0.5927117 -0.3815123 -0.7450949 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.672772287261452e-09 -4.822772248328684e-09 -2.995841650292212e-09 ] [ 3.715506864170169e-10 6.796918845167365e-09 1.189087262441474e-09 ] [ 6.250850429459058e-09 -1.362896509231045e-09 3.000528016908052e-09 ] [ -9.496288286146233e-10 -6.112500876076359e-10 -1.193773629057314e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.2270859 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.478342130709333e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.246015 0.9844432 0.5391763 ] [ 0.3398525 3.1419418 1.1916768 ] [ 2.1125559 0.7187394 1.7780388 ] [ 2.2063415 2.8762114 2.4306235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.46015e-11 9.844432e-11 5.391763000000001e-11 ] [ 3.398525e-11 3.1419418e-10 1.1916768e-10 ] [ 2.1125559e-10 7.187394e-11 1.7780388e-10 ] [ 2.2063415e-10 2.8762114e-10 2.4306235e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.92e-05 -2.3e-06 -3.73e-05 ] [ 4.15e-05 -2.51e-05 4.56e-05 ] [ -3.1e-06 -2.79e-05 1.35e-05 ] [ -1.93e-05 5.53e-05 -2.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.076179111936e-14 -3.68500622784e-15 -5.976118795584e-14 ] [ 6.64903297632e-14 -4.021463318208e-14 7.305925390848e-14 ] [ -4.96674752448e-15 -4.470072772032e-14 2.16293843808e-14 ] [ -3.092200878144e-14 8.860036713024e-14 -3.476723267136e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.837324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736330714483474e-18 } }