{ "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" [ [ 0.9312002 0.7437347 1.637203 ] [ 0.2868751 2.587784 1.486301 ] [ 2.468756 0.0419283 1.950884 ] [ 2.101698 2.93019 0.1307908 ] [ 2.374683 2.856414 2.678274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.312002000000001e-11 7.437347e-11 1.637203e-10 ] [ 2.868751e-11 2.587784e-10 1.486301e-10 ] [ 2.468756e-10 4.19283e-12 1.950884e-10 ] [ 2.101698e-10 2.93019e-10 1.307908e-11 ] [ 2.374683e-10 2.856414e-10 2.678274e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.7924558 -6.4185275 -2.8602445 ] [ -6.9793526 7.7927047 -0.2638804 ] [ 17.0997807 -7.1623292 3.6088962 ] [ 3.1442178 2.7550476 -5.0376869 ] [ 4.5278099 3.0331043 4.5529157 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.850665670937736e-08 -1.028361470046187e-08 -4.582616867671786e-09 ] [ -1.118215556403969e-08 1.248528928313828e-08 -4.227830075673524e-10 ] [ 2.739686885834706e-08 -1.147531639471317e-08 5.782089118533961e-09 ] [ 5.03759224986321e-09 4.414072853911151e-09 -8.071264174090427e-09 ] [ 7.254351165206786e-09 4.85956879790795e-09 7.294575091013267e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4507216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.32431223080957e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3119568 0.3382265 1.7405283 ] [ -0.0635529 2.4058029 0.6844278 ] [ 2.5124437 0.335203 2.5706494 ] [ 1.9054164 3.6799526 0.8603562 ] [ 3.4969482 2.4008661 2.0274912 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.119568e-11 3.382265e-11 1.7405283e-10 ] [ -6.35529e-12 2.4058029e-10 6.844278e-11 ] [ 2.5124437e-10 3.35203e-11 2.5706494e-10 ] [ 1.9054164e-10 3.6799526e-10 8.603562e-11 ] [ 3.4969482e-10 2.4008661e-10 2.0274912e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.19e-05 -1.35e-05 3.88e-05 ] [ 3.18e-05 1.05e-05 -5.14e-05 ] [ -3.32e-05 -8.1e-06 1e-05 ] [ -3.37e-05 2.1e-05 4.85e-05 ] [ 1.31e-05 -9.8e-06 -4.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.508766799552e-14 -2.16293843808e-14 6.216445288704e-14 ] [ 5.094921654144e-14 1.68228545184e-14 -8.235187830912e-14 ] [ -5.319226381056e-14 -1.297763062848e-14 1.6021766208e-14 ] [ -5.399335212096e-14 3.36457090368e-14 7.77055661088e-14 ] [ 2.098851373248e-14 -1.570133088384e-14 -7.37001245568e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }