{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.082673 -1.2129739 1.4594872 ] [ 1.0022677 0.3882106 -1.3290941 ] [ -0.835067 -0.4813945 0.0122577 ] [ -1.4848959 0.094002 0.2687382 ] [ 0.1874566 0.671413 -1.5454713 ] [ 0.9698 0.9557107 0.0818218 ] [ 0.2431116 -0.4149679 1.0522606 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.324567477713984e-10 -1.943398424220597e-09 2.338356270196854e-09 ] [ 1.605809876722988e-09 6.219819472667405e-10 -2.129443493863217e-09 ] [ -1.337924824201594e-09 -7.712790132817057e-10 1.963900036478016e-11 ] [ -2.379065495301775e-09 1.506078067084416e-10 4.305660611558745e-10 ] [ 3.003385819346573e-10 1.075722211501191e-09 -2.476117984977383e-09 ] [ 1.55379088685184e-09 1.531217339788403e-09 1.310929750317735e-10 ] [ 3.895077217652813e-10 -6.648518677624724e-10 1.685907332308981e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.717811 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.319359241835307e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3484757 2.3724839 2.1530761 ] [ 3.3105494 4.111515 0.8962374 ] [ 2.4371245 3.7930341 4.0248771 ] [ 5.4758581 3.2871649 1.4168169 ] [ 4.5101884 1.5494979 2.6727839 ] [ 4.381426 4.8130133 2.9690533 ] [ 4.6024289 2.9686769 4.5454513 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3484757e-10 2.3724839e-10 2.1530761e-10 ] [ 3.3105494e-10 4.111515e-10 8.962374e-11 ] [ 2.4371245e-10 3.7930341e-10 4.024877100000001e-10 ] [ 5.4758581e-10 3.2871649e-10 1.4168169e-10 ] [ 4.5101884e-10 1.5494979e-10 2.6727839e-10 ] [ 4.381426000000001e-10 4.8130133e-10 2.9690533e-10 ] [ 4.6024289e-10 2.9686769e-10 4.5454513e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.62e-05 -0.0 3.3e-06 ] [ 2.8e-05 5.5e-06 3.1e-06 ] [ -8.3e-06 -5.2e-06 7.9e-06 ] [ -2.56e-05 8.2e-06 -1.9e-05 ] [ -5.8e-06 -1.8e-06 8.2e-06 ] [ 4e-07 -2.08e-05 1.5e-06 ] [ -4.9e-06 1.41e-05 -4.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.595526125696e-14 0.0 5.28718284864e-15 ] [ 4.48609453824e-14 8.8119714144e-15 4.96674752448e-15 ] [ -1.329806595264e-14 -8.33131842816e-15 1.265719530432e-14 ] [ -4.101572149248001e-14 1.313784829056e-14 -3.04413557952e-14 ] [ -9.292624400640001e-15 -2.88391791744e-15 1.313784829056e-14 ] [ 6.408706483200001e-16 -3.332527371264e-14 2.4032649312e-15 ] [ -7.850665441919999e-15 2.259069035328e-14 -7.69044777984e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.906204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669978452007545e-18 } }