{ "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" [ [ -0.289811 -0.7362904 -0.3858232 ] [ -0.6312113 0.9947463 0.3825491 ] [ -2.343991 0.2705557 1.0217144 ] [ -0.6363303 -2.5444807 -1.3800854 ] [ 0.7047219 0.583758 0.7079075 ] [ 2.0729899 1.6499015 -1.1760483 ] [ 1.1236319 -0.2181906 0.8297858 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.643284086506688e-10 -1.17966726499948e-09 -6.181569108022425e-10 ] [ -1.011311987644775e-09 1.593759265487303e-09 6.129112243280812e-10 ] [ -3.755487579565613e-09 4.334780171641786e-10 1.6369669248147e-09 ] [ -1.01951352976665e-09 -4.076707489616818e-09 -2.211140562587417e-09 ] [ 1.129088952345756e-09 9.352834198049664e-10 1.134192846188976e-09 ] [ 3.32129595293453e-09 2.643433609922851e-09 -1.884237091191584e-09 ] [ 1.800256760565083e-09 -3.495798781983245e-10 1.329463409031825e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.08684 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.577395895055027e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.350478 1.4685997 3.9335004 ] [ 1.0241651 3.3529695 4.0987218 ] [ 1.9880327 4.2462253 2.1986419 ] [ 3.1304208 2.2831783 1.9458762 ] [ 4.3370903 2.1412124 4.9021052 ] [ 3.9391184 5.1911362 2.9971773 ] [ 5.0051796 3.1426533 2.9302993 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.350478e-10 1.4685997e-10 3.9335004e-10 ] [ 1.0241651e-10 3.3529695e-10 4.0987218e-10 ] [ 1.9880327e-10 4.2462253e-10 2.1986419e-10 ] [ 3.1304208e-10 2.2831783e-10 1.9458762e-10 ] [ 4.3370903e-10 2.1412124e-10 4.9021052e-10 ] [ 3.9391184e-10 5.1911362e-10 2.9971773e-10 ] [ 5.005179600000001e-10 3.1426533e-10 2.9302993e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.78e-05 -4e-06 -1.25e-05 ] [ 2.24e-05 -1.03e-05 -1.03e-05 ] [ 1.05e-05 2.1e-06 1.42e-05 ] [ 9.4e-06 -5.9e-06 1.44e-05 ] [ 1.59e-05 6.4e-06 1.7e-06 ] [ -3.1e-06 1.82e-05 -8.9e-06 ] [ -2.73e-05 -6.6e-06 1.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.454051005824e-14 -6.4087064832e-15 -2.002720776e-14 ] [ 3.588875630592e-14 -1.650241919424e-14 -1.650241919424e-14 ] [ 1.68228545184e-14 3.36457090368e-15 2.275090801536e-14 ] [ 1.506046023552e-14 -9.45284206272e-15 2.307134333952e-14 ] [ 2.547460827072e-14 1.025393037312e-14 2.72370025536e-15 ] [ -4.96674752448e-15 2.915961449856e-14 -1.425937192512e-14 ] [ -4.373942174784e-14 -1.057436569728e-14 2.24304726912e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.636824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.985948369876434e-18 } }