{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.9722378 -7.0492308 0.48092 ] [ -3.0581697 1.642202 1.5774496 ] [ -2.322908 5.5380044 0.87306 ] [ 0.4499716 -6.0559401 -11.3514359 ] [ 3.7617956 2.8108374 5.6484884 ] [ -0.9463737 4.2174646 -0.7468837 ] [ 4.087922 -1.1033375 3.5184016 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.159873293818026e-09 -1.129411278238328e-08 7.70518780475136e-10 ] [ -4.89972799577895e-09 2.631097651031002e-09 2.527352869610312e-09 ] [ -3.721708889869287e-09 8.872861175567533e-09 1.398796320555648e-09 ] [ 7.209339775439693e-10 -9.702685645185214e-09 -1.81870052114898e-08 ] [ 6.027060962548309e-09 4.503457967150258e-09 9.04987605734e-09 ] [ -1.516257816679993e-09 6.757123181171623e-09 -1.196639602596601e-09 ] [ 6.549573056053978e-09 -1.76774154735192e-09 5.637100786105313e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.8811858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.422922825374095e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.662961 0.6641422 3.3323042 ] [ 1.3357495 3.3607012 3.8292373 ] [ 2.2780788 5.5912738 3.1021105 ] [ 2.3280319 2.2359605 1.8596932 ] [ 3.1923237 2.5298249 5.1172689 ] [ 3.9360727 4.0808073 1.9023296 ] [ 5.0412673 3.3632648 3.8633784 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.662961e-10 6.641422e-11 3.3323042e-10 ] [ 1.3357495e-10 3.3607012e-10 3.8292373e-10 ] [ 2.2780788e-10 5.5912738e-10 3.1021105e-10 ] [ 2.3280319e-10 2.2359605e-10 1.8596932e-10 ] [ 3.192323700000001e-10 2.5298249e-10 5.117268900000001e-10 ] [ 3.9360727e-10 4.0808073e-10 1.9023296e-10 ] [ 5.0412673e-10 3.3632648e-10 3.8633784e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.7e-06 2.1e-06 4.2e-06 ] [ -4e-07 4.6e-06 -3.9e-06 ] [ 1.7e-06 -2.9e-06 6.7e-06 ] [ 4.5e-06 1.9e-06 2.4e-06 ] [ -2.9e-06 -2e-06 1.8e-06 ] [ -3.8e-06 1.1e-06 -9.5e-06 ] [ -3.9e-06 -4.7e-06 -1.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.53023011776e-15 3.36457090368e-15 6.72914180736e-15 ] [ -6.408706483200001e-16 7.370012455680001e-15 -6.24848882112e-15 ] [ 2.72370025536e-15 -4.646312200320001e-15 1.073458335936e-14 ] [ 7.2097947936e-15 3.04413557952e-15 3.84522388992e-15 ] [ -4.646312200320001e-15 -3.2043532416e-15 2.88391791744e-15 ] [ -6.08827115904e-15 1.76239428288e-15 -1.52206778976e-14 ] [ -6.24848882112e-15 -7.53023011776e-15 -2.56348259328e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.891963 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.026826143961863e-18 } }