{ "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" [ [ 0.099853 0.7165901 0.5986145 ] [ 0.2043706 1.471965 2.579922 ] [ 1.736021 0.3195483 2.600696 ] [ 1.725047 2.389347 1.166635 ] [ 1.83697 2.73027 2.853175 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.9853e-12 7.165901e-11 5.986145000000001e-11 ] [ 2.043706e-11 1.471965e-10 2.579922e-10 ] [ 1.736021e-10 3.195483e-11 2.600696e-10 ] [ 1.725047e-10 2.389347e-10 1.166635e-10 ] [ 1.83697e-10 2.73027e-10 2.853175e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4744768 -4.0882344 -14.714228 ] [ -50.381724 21.648197 15.3037412 ] [ 38.1606165 -31.7280249 2.5966424 ] [ -1.7461126 -18.0233042 -110.2777804 ] [ 16.4416968 32.1913665 107.0916247 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.964548910335091e-09 -6.550073629995009e-09 -2.357479228894855e-08 ] [ -8.0720420973437e-08 3.468423540162889e-08 2.451929656342312e-08 ] [ 6.114004809533486e-08 -5.083390013775019e-08 4.160279780133681e-09 ] [ -2.797580808052988e-09 -2.887651685671406e-08 -1.766844830062632e-07 ] [ 2.634250243627257e-08 5.157625522283036e-08 1.715796987914372e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 25.235402 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.043157143399687e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0513885 0.8079481 0.5796805 ] [ -0.4034274 1.4288413 3.0693191 ] [ 1.9932811 0.2289449 2.4426147 ] [ 2.2079214 2.2705448 0.6088987 ] [ 1.7530979 2.8914414 3.0985295 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.13885e-12 8.079481e-11 5.796805000000001e-11 ] [ -4.034274e-11 1.4288413e-10 3.0693191e-10 ] [ 1.9932811e-10 2.289449e-11 2.4426147e-10 ] [ 2.2079214e-10 2.2705448e-10 6.088987e-11 ] [ 1.7530979e-10 2.8914414e-10 3.0985295e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.2e-06 1.29e-05 -1.27e-05 ] [ -8.6e-06 2.5e-06 4.5e-06 ] [ 1.76e-05 5.3e-06 2.58e-05 ] [ -3.8e-06 -2.8e-06 -3.17e-05 ] [ -3e-06 -1.79e-05 1.42e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.5247885948e-15 2.06680785786e-14 -2.03476432518e-14 ] [ -1.37787190524e-14 4.005441585e-15 7.209794853e-15 ] [ 2.81983087584e-14 8.4915361602e-15 4.133615715719999e-14 ] [ -6.088271209199999e-15 -4.486094575199999e-15 -5.078899929779999e-14 ] [ -4.806529901999999e-15 -2.86789617486e-14 2.27509082028e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.98496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.561072940742464e-18 } }