{ "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" [ [ 0.7021051 -0.3102162 0.080309 ] [ -0.31172 -0.5184068 0.6980423 ] [ 11.1918693 -19.1895767 7.1421573 ] [ -0.0203868 -2.3911093 -15.5417606 ] [ -11.5618677 22.4093091 7.621252 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.124896376564446e-09 -4.97021143033417e-10 1.286692022398272e-10 ] [ -4.99430496235776e-10 -8.305792550237414e-10 1.11838705338946e-09 ] [ 1.793135133550926e-08 -3.074509115178842e-08 1.144299744813605e-08 ] [ -3.266325433292544e-11 -3.830979418237454e-09 -2.490064547939058e-08 ] [ -1.852415412172267e-08 3.590367112830069e-08 1.221059177562524e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.1945314 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.322556765091494e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6290991 0.5709016 1.6765378 ] [ 2.7270801 0.2513051 0.5701155 ] [ 2.6621702 0.6427665 2.9372125 ] [ 1.4668241 2.260725 0.2032482 ] [ 1.4019154 2.6521834 2.5703444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.290991e-11 5.709016e-11 1.6765378e-10 ] [ 2.7270801e-10 2.513051e-11 5.701155e-11 ] [ 2.6621702e-10 6.427665e-11 2.9372125e-10 ] [ 1.4668241e-10 2.260725e-10 2.032482e-11 ] [ 1.4019154e-10 2.6521834e-10 2.5703444e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-07 2.1e-05 -2.1e-06 ] [ 3.3e-06 3.5e-06 -2.5e-06 ] [ 5.6e-06 -4.5e-06 -1.9e-06 ] [ -3e-07 -1.56e-05 1.24e-05 ] [ -8.2e-06 -4.5e-06 -5.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.408706483200001e-16 3.36457090368e-14 -3.36457090368e-15 ] [ 5.28718284864e-15 5.6076181728e-15 -4.005441552e-15 ] [ 8.972189076479999e-15 -7.2097947936e-15 -3.04413557952e-15 ] [ -4.8065298624e-16 -2.499395528448e-14 1.986699009792e-14 ] [ -1.313784829056e-14 -7.2097947936e-15 -9.45284206272e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }