{ "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" [ [ 1.30949 2.712734 2.978333 ] [ 0.0672006 1.690783 1.932827 ] [ 2.539316 0.8650755 1.245634 ] [ 2.964133 0.3086468 2.850804 ] [ 2.353048 2.858216 0.4219119 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.30949e-10 2.712734e-10 2.978333e-10 ] [ 6.72006e-12 1.690783e-10 1.932827e-10 ] [ 2.539316e-10 8.650755e-11 1.245634e-10 ] [ 2.964133e-10 3.086468e-11 2.850804e-10 ] [ 2.353048e-10 2.858216e-10 4.219119e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2553055 5.0723702 5.5409431 ] [ -6.0421541 -3.3446409 -2.4110694 ] [ -0.8132407 -1.8482716 -11.4140417 ] [ 3.2248088 -3.0814348 10.1396472 ] [ 1.3752807 3.2019771 -1.8554793 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.613397744861655e-09 8.12683294648262e-09 8.877569492003076e-09 ] [ -9.680598038290866e-09 -5.358705454951471e-09 -3.862959023806283e-09 ] [ -1.302955236623027e-09 -2.961257546408609e-09 -1.828731076057629e-08 ] [ 5.166713265910103e-09 -4.937002795079523e-09 1.624550568700018e-08 ] [ 2.203442584577459e-09 5.130132849956984e-09 -2.972805554838349e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.3834979 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.216607990305897e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5564466 2.807712 3.0473607 ] [ -0.0105806 1.3050828 1.7904528 ] [ 2.1368339 0.5664675 0.7244429 ] [ 2.9530778 0.7242592 3.0913256 ] [ 2.5974099 3.0319339 0.7759279 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5564466e-10 2.807712e-10 3.0473607e-10 ] [ -1.05806e-12 1.3050828e-10 1.7904528e-10 ] [ 2.1368339e-10 5.664675e-11 7.244429e-11 ] [ 2.9530778e-10 7.242592e-11 3.0913256e-10 ] [ 2.5974099e-10 3.0319339e-10 7.759279000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.8e-06 2.04e-05 2.06e-05 ] [ -4.44e-05 -1.84e-05 -1.06e-05 ] [ -8e-06 -3.9e-06 -1.4e-05 ] [ 3.3e-05 -2.08e-05 2.96e-05 ] [ 2.33e-05 2.27e-05 -2.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.08827115904e-15 3.268440306432e-14 3.300483838848e-14 ] [ -7.113664196352e-14 -2.948004982272e-14 -1.698307218048e-14 ] [ -1.28174129664e-14 -6.24848882112e-15 -2.24304726912e-14 ] [ 5.28718284864e-14 -3.332527371264e-14 4.742442797568e-14 ] [ 3.733071526464e-14 3.636940929216e-14 -4.117593915456e-14 ] ] } "relaxed-potential-energy" { "source-value" -6.9990301 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121368239449549e-18 } }