{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.5925893 -8.5440433 -4.7287755 ] [ -4.7728691 -4.7432791 17.4146176 ] [ -14.7012684 13.4856848 -4.9145338 ] [ 2.2279984 -8.0733868 -6.5140263 ] [ 15.9981041 -7.4000192 8.626862 ] [ 6.0335261 3.6658915 -14.5829952 ] [ 6.8070981 11.6091521 4.6988513 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.857337555099624e-08 -1.368906642236288e-08 -7.57633355111183e-09 ] [ -7.646979286158738e-09 -7.599570879949265e-09 2.790129317889221e-08 ] [ -2.355402852658582e-08 2.160644890203793e-08 -7.873951156491384e-09 ] [ 3.569646947659807e-09 -1.293499158163533e-08 -1.043662064513633e-08 ] [ 2.563178836614463e-08 -1.185613775571112e-08 1.382175660726793e-08 ] [ 9.666774458406602e-09 5.873405655689443e-09 -2.336453397067862e-08 ] [ 1.09061734313121e-08 1.859991208193122e-08 7.528389697475688e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.2593327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.42637989294894e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.5558578 2.3227215 2.6993961 ] [ 2.5023873 2.0066676 4.9151983 ] [ 2.2729899 4.6153373 2.0940263 ] [ 3.9180401 1.6792426 1.8017547 ] [ 4.6706172 2.5874739 3.9801914 ] [ 3.7350453 3.6581499 0.4031822 ] [ 4.0626514 4.8881193 3.6694261 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5558578e-10 2.3227215e-10 2.6993961e-10 ] [ 2.5023873e-10 2.0066676e-10 4.9151983e-10 ] [ 2.2729899e-10 4.6153373e-10 2.0940263e-10 ] [ 3.9180401e-10 1.6792426e-10 1.8017547e-10 ] [ 4.670617199999999e-10 2.5874739e-10 3.9801914e-10 ] [ 3.7350453e-10 3.658149900000001e-10 4.031822e-11 ] [ 4.0626514e-10 4.8881193e-10 3.6694261e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.35e-05 -6.2e-06 2.72e-05 ] [ 7.9e-06 1.23e-05 -2.38e-05 ] [ 9.1e-06 2.21e-05 -2.6e-06 ] [ 1.3e-06 4.9e-06 -5.3e-06 ] [ -5.3e-06 -1.46e-05 1.01e-05 ] [ -1.2e-06 -8e-06 -4.8e-06 ] [ -2.53e-05 -1.05e-05 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.16293843808e-14 -9.93349504896e-15 4.357920408576e-14 ] [ 1.265719530432e-14 1.970677243584e-14 -3.813180357504e-14 ] [ 1.457980724928e-14 3.540810331968e-14 -4.16565921408e-15 ] [ 2.08282960704e-15 7.850665441919999e-15 -8.491536090240001e-15 ] [ -8.491536090240001e-15 -2.339177866368e-14 1.618198387008e-14 ] [ -1.92261194496e-15 -1.28174129664e-14 -7.69044777984e-15 ] [ -4.053506850624e-14 -1.68228545184e-14 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.129296 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.783109785716296e-18 } }