{ "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" [ [ 2.146483 1.678803 1.689789 ] [ 0.9939717 3.024801 3.865516 ] [ 2.198915 3.863733 1.927968 ] [ 4.22715 2.33689 1.172014 ] [ 3.633184 2.755923 3.714191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146483e-10 1.678803e-10 1.689789e-10 ] [ 9.939717000000001e-11 3.024801e-10 3.865516e-10 ] [ 2.198915e-10 3.863733e-10 1.927968e-10 ] [ 4.22715e-10 2.33689e-10 1.172014e-10 ] [ 3.633184e-10 2.755923e-10 3.714191e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6801142 1.8936989 12.4709789 ] [ 6.7830272 -5.2950379 -7.5516318 ] [ -0.821466 5.1122056 0.5522299 ] [ 4.3837622 0.489582 0.3808292 ] [ -5.6652092 -2.2004485 -5.8524062 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.498369615691602e-09 3.034040129411502e-09 1.998071099668702e-08 ] [ 1.086760768762644e-08 -8.483585999524428e-09 -1.209904801853136e-08 ] [ -1.316133630825444e-09 8.19065636052395e-09 8.847698423761566e-10 ] [ 7.023561365852434e-09 7.84396840826988e-10 6.101556457849126e-10 ] [ -9.07666580696183e-09 -3.525507171020348e-09 -9.376588466316729e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.607922 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.340447129969455e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0282948 1.5037031 1.9422731 ] [ 1.0351844 2.9679266 3.7751665 ] [ 2.3323227 4.0329622 1.8587036 ] [ 4.2446937 2.4961399 1.1726196 ] [ 3.5592081 2.6594182 3.6207151 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0282948e-10 1.5037031e-10 1.9422731e-10 ] [ 1.0351844e-10 2.9679266e-10 3.7751665e-10 ] [ 2.3323227e-10 4.0329622e-10 1.8587036e-10 ] [ 4.2446937e-10 2.4961399e-10 1.1726196e-10 ] [ 3.5592081e-10 2.6594182e-10 3.6207151e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.9e-06 1.59e-05 -2.24e-05 ] [ 3.18e-05 -2.6e-05 6.4e-06 ] [ -2.69e-05 3.34e-05 -2.67e-05 ] [ -6e-07 -3.19e-05 1.59e-05 ] [ 6e-07 8.6e-06 2.69e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.850665506599998e-15 2.54746084806e-14 -3.588875660159999e-14 ] [ 5.09492169612e-14 -4.165659248399999e-14 1.02539304576e-14 ] [ -4.309855145459999e-14 5.351269957559999e-14 -4.277811612779999e-14 ] [ -9.613059803999998e-16 -5.11094346246e-14 2.54746084806e-14 ] [ 9.613059803999998e-16 1.37787190524e-14 4.309855145459999e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.756113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.844842935926364e-18 } }