{ "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" [ [ 2.851893 1.689536 1.360291 ] [ 1.367517 2.93292 5.4803 ] [ 1.756353 1.339195 3.328571 ] [ 1.204701 3.536746 3.011508 ] [ 3.888723 1.68848 3.240915 ] [ 3.83892 3.544284 1.733331 ] [ 3.269318 3.65155 3.991072 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.851893e-10 1.689536e-10 1.360291e-10 ] [ 1.367517e-10 2.93292e-10 5.4803e-10 ] [ 1.756353e-10 1.339195e-10 3.328571e-10 ] [ 1.204701e-10 3.536746e-10 3.011508e-10 ] [ 3.888723e-10 1.68848e-10 3.240915e-10 ] [ 3.83892e-10 3.544284e-10 1.733331e-10 ] [ 3.269318e-10 3.65155e-10 3.991072e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7187691 -6.8656252 -10.9272945 ] [ -0.4919848 -0.2039763 0.8343446 ] [ -7.6349985 -6.0234448 2.6313866 ] [ -5.09288 3.7902572 -2.6398137 ] [ 12.2943111 -6.6338264 5.8635409 ] [ 3.7232601 8.509073 -2.3615726 ] [ 2.9210612 7.4275426 6.5994087 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.162478151773458e-09 -1.099994418261532e-08 -1.750745577649643e-08 ] [ -7.882465443489638e-10 -3.268060590572871e-10 1.336767411810728e-09 ] [ -1.223261609654307e-08 -9.650622435239332e-09 4.215946090806401e-09 ] [ -8.159693268539904e-09 6.07266147265887e-09 -4.229447793407545e-09 ] [ 1.969765781326193e-08 -1.062856156452583e-08 9.394428145084591e-09 ] [ 5.96532028537747e-09 1.363303782528052e-08 -3.78365640804187e-09 ] [ 4.680055962565993e-09 1.190023510371605e-08 1.057341833024412e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.4528264 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.514509745856103e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7232323 1.518521 1.1403861 ] [ 1.5179469 2.7328862 5.3983509 ] [ 1.5022063 1.156326 3.3726389 ] [ 0.9977974 3.6865962 3.0151857 ] [ 4.0345605 1.6429948 3.4105046 ] [ 4.0687557 3.6241491 1.6893553 ] [ 3.3329259 4.0212378 4.1195665 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7232323e-10 1.518521e-10 1.1403861e-10 ] [ 1.5179469e-10 2.7328862e-10 5.3983509e-10 ] [ 1.5022063e-10 1.156326e-10 3.3726389e-10 ] [ 9.977974e-11 3.6865962e-10 3.0151857e-10 ] [ 4.034560500000001e-10 1.6429948e-10 3.4105046e-10 ] [ 4.0687557e-10 3.6241491e-10 1.6893553e-10 ] [ 3.332925900000001e-10 4.0212378e-10 4.119566500000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3e-06 9.5e-06 2.21e-05 ] [ -2.26e-05 -7.9e-06 1.56e-05 ] [ -5.8e-06 5.6e-06 2.6e-06 ] [ 2e-07 -2.42e-05 5.7e-06 ] [ -9.3e-06 5.2e-06 -1.88e-05 ] [ 2.64e-05 8.3e-06 -6e-07 ] [ 1.4e-05 3.5e-06 -2.66e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.8065298624e-15 1.52206778976e-14 3.540810331968e-14 ] [ -3.620919163008e-14 -1.265719530432e-14 2.499395528448e-14 ] [ -9.292624400640001e-15 8.972189076479999e-15 4.16565921408e-15 ] [ 3.2043532416e-16 -3.877267422336e-14 9.13240673856e-15 ] [ -1.490024257344e-14 8.33131842816e-15 -3.012092047104e-14 ] [ 4.229746278912e-14 1.329806595264e-14 -9.6130597248e-16 ] [ 2.24304726912e-14 5.6076181728e-15 -4.261789811328e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.746065 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.683015383339716e-18 } }