{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3784826 -3.3635114 -0.506869 ] [ -4.1203953 6.0543861 -2.3003602 ] [ -4.5542455 -3.1333139 1.1344202 ] [ 1.5910927 -0.2096162 -1.486672 ] [ 0.7161131 1.4138685 3.2252677 ] [ -1.272632 -1.2335878 0.303668 ] [ 5.2615844 0.4717747 -0.3694547 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.810749214699598e-09 -5.388939328874278e-09 -8.120936616082753e-10 ] [ -6.601601018114203e-09 9.70019586271649e-09 -3.685583331858812e-09 ] [ -7.296705665483607e-09 -5.020122276207669e-09 1.81754152260326e-09 ] [ 2.549211525465548e-09 -3.35842174980937e-10 -2.381911121197978e-09 ] [ 1.147339666668612e-09 2.265267055585565e-09 5.167448504761388e-09 ] [ -2.038981237281946e-09 -1.976425532864106e-09 4.865297700850944e-10 ] [ 8.429987514045996e-09 7.558663946249337e-10 -5.919316827846779e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.898376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.027853619828782e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7894037 2.0422367 3.485518 ] [ 1.6921294 5.4305022 2.1384298 ] [ 0.7391311 3.2747361 2.8705655 ] [ 2.5766295 3.2929914 1.1560151 ] [ 2.5041792 4.3840162 4.2742 ] [ 4.7099045 2.7048311 2.2010154 ] [ 4.1032601 5.0142893 2.4761462 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7894037e-10 2.0422367e-10 3.485518e-10 ] [ 1.6921294e-10 5.4305022e-10 2.1384298e-10 ] [ 7.391311e-11 3.2747361e-10 2.8705655e-10 ] [ 2.5766295e-10 3.2929914e-10 1.1560151e-10 ] [ 2.5041792e-10 4.3840162e-10 4.274200000000001e-10 ] [ 4.709904500000001e-10 2.7048311e-10 2.2010154e-10 ] [ 4.1032601e-10 5.0142893e-10 2.4761462e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.6e-06 2.11e-05 1.36e-05 ] [ -3.7e-06 1.19e-05 -1.11e-05 ] [ -1.27e-05 -6.8e-06 1.71e-05 ] [ 2.4e-06 -1.08e-05 -2.45e-05 ] [ -1.04e-05 -4.1e-06 6e-06 ] [ 2.25e-05 -7.9e-06 -2.6e-05 ] [ 6.6e-06 -3.4e-06 2.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.370012455680001e-15 3.380592669888e-14 2.178960204288e-14 ] [ -5.928053496960001e-15 1.906590178752e-14 -1.778416049088e-14 ] [ -2.034764308416e-14 -1.089480102144e-14 2.739722021568e-14 ] [ 3.84522388992e-15 -1.730350750464e-14 -3.92533272096e-14 ] [ -1.666263685632e-14 -6.568924145279999e-15 9.6130597248e-15 ] [ 3.604897396800001e-14 -1.265719530432e-14 -4.16565921408e-14 ] [ 1.057436569728e-14 -5.44740051072e-15 3.989419785791999e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.602861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.461159883659211e-18 } }