{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.198213 1.350624 3.055818 ] [ 2.6169 3.019665 1.923407 ] [ 3.04509 0.4771157 2.258597 ] [ 0.8976629 3.617369 3.27072 ] [ 3.817629 1.77083 3.542328 ] [ 3.146341 4.405242 3.880584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.198213e-10 1.350624e-10 3.055818e-10 ] [ 2.6169e-10 3.019665e-10 1.923407e-10 ] [ 3.04509e-10 4.771157e-11 2.258597e-10 ] [ 8.976629000000001e-11 3.617369e-10 3.27072e-10 ] [ 3.817629e-10 1.77083e-10 3.542328e-10 ] [ 3.146341e-10 4.405242e-10 3.880584e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.64695 -6.1927164 3.2169751 ] [ 3.1089082 8.0931339 -11.3351778 ] [ 1.4280759 -12.0438393 -6.9469952 ] [ -5.788694 4.0324751 2.4471298 ] [ 11.8587152 3.1331433 9.8526909 ] [ 2.0399448 2.9778035 2.7653772 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.026264761442656e-08 -9.921825435324743e-09 5.154162294915742e-09 ] [ 4.981020034253411e-09 1.296662992358393e-08 -1.816095686377118e-08 ] [ 2.288029819707919e-09 -1.929635775113224e-08 -1.113031329424982e-08 ] [ -9.274510191765235e-09 6.460737329178142e-09 3.92073415362298e-09 ] [ 1.899975624616559e-08 5.019848944876161e-09 1.578575101194891e-08 ] [ 3.268351866282532e-09 4.770967149036413e-09 4.430622697533366e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.4948219 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.803675183639836e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.765313 1.10722 3.2403747 ] [ 2.6722705 3.1902578 1.3565635 ] [ 2.9388147 0.9721219 2.2732223 ] [ 0.8377775 3.4922965 3.2209281 ] [ 4.2484447 1.8619651 4.053897 ] [ 3.2592156 4.0169845 3.7864684 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.653130000000001e-11 1.10722e-10 3.2403747e-10 ] [ 2.6722705e-10 3.1902578e-10 1.3565635e-10 ] [ 2.9388147e-10 9.721219e-11 2.2732223e-10 ] [ 8.377775e-11 3.4922965e-10 3.2209281e-10 ] [ 4.248444700000001e-10 1.8619651e-10 4.053897e-10 ] [ 3.2592156e-10 4.0169845e-10 3.7864684e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.12e-05 4.6e-06 -3.4e-06 ] [ -2.8e-06 1.97e-05 -1.1e-06 ] [ 9.7e-06 -2.33e-05 1.37e-05 ] [ 1.97e-05 -3.9e-06 1e-07 ] [ 2.47e-05 -2.34e-05 -5.5e-06 ] [ -3.01e-05 2.63e-05 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.396614436096001e-14 7.370012455680001e-15 -5.44740051072e-15 ] [ -4.48609453824e-15 3.156287942976e-14 -1.76239428288e-15 ] [ 1.554111322176e-14 -3.733071526464e-14 2.194981970496e-14 ] [ 3.156287942976e-14 -6.24848882112e-15 1.6021766208e-16 ] [ 3.957376253376001e-14 -3.749093292672001e-14 -8.8119714144e-15 ] [ -4.822551628608e-14 4.213724512704e-14 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -15.124626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.423232217554382e-18 } }