{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.3286254 -4.1279017 -5.6930468 ] [ 0.0 0.0 0.0 ] [ 14.8398398 -26.5079332 15.0232686 ] [ 6.8686497 18.6415316 -29.0115139 ] [ -11.3798641 11.9943033 19.6812921 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.65482822772189e-08 -6.613627651188876e-09 -9.121266559228471e-09 ] [ 0.0 0.0 0.0 ] [ 2.377604457986323e-08 -4.247039118867284e-08 2.406992991722589e-08 ] [ 1.100479005647111e-08 2.986702635149263e-08 -4.64815696875462e-08 ] [ -1.823255235911544e-08 1.921699248836909e-08 3.153290632954879e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 8.025309 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.285796256042991e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7895796 -0.7504274 0.4063464 ] [ 0.032965 0.0756626 2.808384 ] [ 2.7839007 0.3527368 0.6775327 ] [ 3.0667188 2.5637365 1.2246779 ] [ 1.5278019 3.9367032 2.2319112 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.895796e-11 -7.504274e-11 4.063464e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.7839007e-10 3.527368e-11 6.775327e-11 ] [ 3.0667188e-10 2.5637365e-10 1.2246779e-10 ] [ 1.5278019e-10 3.9367032e-10 2.2319112e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.77e-05 3.25e-05 8e-06 ] [ 0.0 0.0 0.0 ] [ -6e-06 5.7e-06 6.7e-06 ] [ -9.4e-06 -2.05e-05 -1.04e-05 ] [ -2.3e-06 -1.77e-05 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.83585264218e-14 5.207074060499999e-14 1.2817413072e-14 ] [ 0.0 0.0 0.0 ] [ -9.613059803999999e-15 9.1324068138e-15 1.07345834478e-14 ] [ -1.50604603596e-14 -3.2844620997e-14 -1.66626369936e-14 ] [ -3.685006258199999e-15 -2.83585264218e-14 -7.0495771896e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.9978218 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.281392321085582e-18 } }