{ "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" [ [ -0.665792 -2.3794387 -4.6279457 ] [ -18.1728883 4.7459563 5.9880508 ] [ 10.8332992 -9.7432357 0.4848369 ] [ 1.3077491 -2.4760697 -29.5905364 ] [ 6.697632 9.8527877 27.7455944 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.066716385504128e-09 -3.812281087175335e-09 -7.414786463960773e-09 ] [ -2.911617700655198e-08 7.603860289845092e-09 9.593915074965006e-09 ] [ 1.735685884737089e-08 -1.561038457809463e-08 7.767943524809946e-10 ] [ 2.095245051154529e-09 -3.967101017495389e-09 -4.740926600760647e-08 ] [ 1.073078949353069e-08 1.57859062327026e-08 4.445334304412125e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.9593308 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.139194026036527e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.1348935 0.836966 0.6846753 ] [ -0.2834599 1.4160747 3.003081 ] [ 1.8896005 0.39008 2.3822058 ] [ 2.1397759 2.2027677 0.705329 ] [ 1.7214514 2.7818321 3.0237515 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.348935e-11 8.369660000000001e-11 6.846753e-11 ] [ -2.834599e-11 1.4160747e-10 3.003081e-10 ] [ 1.8896005e-10 3.9008e-11 2.3822058e-10 ] [ 2.1397759e-10 2.2027677e-10 7.05329e-11 ] [ 1.7214514e-10 2.7818321e-10 3.0237515e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.1e-06 2.37e-05 1.23e-05 ] [ 1.72e-05 -3.18e-05 1.31e-05 ] [ -3.13e-05 6.45e-05 -7.9e-06 ] [ 1.87e-05 -2.89e-05 1.08e-05 ] [ -1.28e-05 -2.76e-05 -2.84e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.29776307354e-14 3.79715862258e-14 1.97067725982e-14 ] [ 2.75574381048e-14 -5.09492169612e-14 2.09885139054e-14 ] [ -5.014812864419999e-14 1.03340392893e-13 -1.26571954086e-14 ] [ 2.99607030558e-14 -4.63029047226e-14 1.73035076472e-14 ] [ -2.05078609152e-14 -4.42200750984e-14 -4.550181640559999e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.867937 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.221888462318406e-18 } }