{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1202534 -2.7032366 -0.7010202 ] [ -3.8773246 3.5267248 -3.0232303 ] [ 2.1167676 0.6955708 3.0122479 ] [ -0.3818124 0.5809572 0.9252845 ] [ 1.5555044 -0.4917818 -0.6453834 ] [ -0.0597099 -1.0366441 3.5433866 ] [ -2.4736786 -0.5715903 -3.111285 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.999197048451711e-09 -4.331062481010881e-09 -1.12315817514854e-09 ] [ -6.212158825372712e-09 5.650436022555557e-09 -4.84374890595417e-09 ] [ 3.391435560386927e-09 1.114427273871153e-09 4.826153161433896e-09 ] [ -6.117309008115379e-10 9.307960435254297e-10 1.482469193488618e-09 ] [ 2.492192783231531e-09 -7.879213024949414e-10 -1.034018194932415e-09 ] [ -9.566580581030593e-11 -1.660886941110257e-09 5.677131168976001e-09 ] [ -3.963270020293275e-09 -9.157886153360582e-10 -4.984828087645729e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.34793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.541839069407495e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1207742 1.3999961 1.9829984 ] [ 1.3677679 3.1343893 1.9530776 ] [ 1.9611754 2.3616537 4.0476562 ] [ 2.8703445 4.7303923 3.0913829 ] [ 4.9561624 3.0734627 2.5855904 ] [ 3.4162629 3.6212482 0.9530547 ] [ 3.9632357 3.4731527 4.7180766 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1207742e-10 1.3999961e-10 1.9829984e-10 ] [ 1.3677679e-10 3.1343893e-10 1.9530776e-10 ] [ 1.9611754e-10 2.3616537e-10 4.0476562e-10 ] [ 2.8703445e-10 4.7303923e-10 3.0913829e-10 ] [ 4.9561624e-10 3.0734627e-10 2.5855904e-10 ] [ 3.4162629e-10 3.6212482e-10 9.530547e-11 ] [ 3.9632357e-10 3.4731527e-10 4.7180766e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -1.18e-05 3e-06 ] [ -2.9e-05 2.32e-05 -1.01e-05 ] [ 3.67e-05 1.23e-05 6.1e-06 ] [ -1.13e-05 -1.21e-05 4.89e-05 ] [ 1.9e-05 3.3e-06 2.13e-05 ] [ 1.71e-05 -1.93e-05 1.24e-05 ] [ -3.13e-05 4.3e-06 -8.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 -1.890568412544e-14 4.8065298624e-15 ] [ -4.64631220032e-14 3.717049760256e-14 -1.618198387008e-14 ] [ 5.879988198335999e-14 1.970677243584e-14 9.77327738688e-15 ] [ -1.810459581504e-14 -1.938633711168e-14 7.834643675712001e-14 ] [ 3.04413557952e-14 5.28718284864e-15 3.412636202304e-14 ] [ 2.739722021568e-14 -3.092200878144e-14 1.986699009792e-14 ] [ -5.014812823104e-14 6.889359469440001e-15 -1.3089782991936e-13 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }