{ "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" [ [ 0.5231689 0.1640524 1.493785 ] [ 2.625554 0.0718253 0.0473088 ] [ 2.391634 1.372958 2.83206 ] [ 1.806242 1.946446 0.9821647 ] [ 1.54049 2.8226 2.60214 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.231689000000001e-11 1.640524e-11 1.493785e-10 ] [ 2.625554e-10 7.18253e-12 4.73088e-12 ] [ 2.391634e-10 1.372958e-10 2.83206e-10 ] [ 1.806242e-10 1.946446e-10 9.821647e-11 ] [ 1.54049e-10 2.8226e-10 2.60214e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9884332 -3.7766541 0.6908984 ] [ 1.0011598 -2.428975 -1.6522338 ] [ 17.4872676 -28.506601 14.7365856 ] [ 0.1221942 0.4959008 -24.754263 ] [ -16.6221884 34.2163293 10.9790128 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.185821211309848e-09 -6.050866953720298e-09 1.106941272947986e-09 ] [ 1.604034838460113e-09 -3.891646989570149e-09 -2.647170388265029e-09 ] [ 2.801769154122525e-08 -4.567261003696103e-08 2.361061311326087e-08 ] [ 1.957766920503228e-10 7.94520674541907e-10 -3.966070177049074e-08 ] [ -2.663168186042584e-08 5.482060330570957e-08 1.759031777254691e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 4.7559819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.619923071906924e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.499212 -0.5311847 1.6558948 ] [ 2.3985014 0.1282857 -0.5712443 ] [ 1.3622044 1.2646291 3.3728966 ] [ 1.4879143 1.9893969 0.8218116 ] [ 2.1392568 3.5267547 2.6780998 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.499212e-10 -5.311847e-11 1.6558948e-10 ] [ 2.3985014e-10 1.282857e-11 -5.712443e-11 ] [ 1.3622044e-10 1.2646291e-10 3.3728966e-10 ] [ 1.4879143e-10 1.9893969e-10 8.218116e-11 ] [ 2.1392568e-10 3.526754700000001e-10 2.6780998e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 9.5e-06 -4.9e-06 ] [ 0.0 -5.7e-06 7.4e-06 ] [ 1.6e-06 -9.4e-06 9.3e-06 ] [ -7e-07 1.12e-05 -5.1e-06 ] [ -2.1e-06 -5.5e-06 -6.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.9226119608e-15 1.5220678023e-14 -7.850665506599998e-15 ] [ 0.0 -9.1324068138e-15 1.18561070916e-14 ] [ 2.5634826144e-15 -1.50604603596e-14 1.49002426962e-14 ] [ -1.1215236438e-15 1.79443783008e-14 -8.1711008334e-15 ] [ -3.364570931399999e-15 -8.811971486999999e-15 -1.07345834478e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.346148 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.657635657750583e-18 } }