{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0820665 -3.0632802 -2.3556281 ] [ -4.1849544 -4.3780601 5.6273353 ] [ 0.3565003 8.9212445 -3.9464804 ] [ 3.6212168 -1.192032 -0.5681017 ] [ 0.2551848 1.8834933 1.5683602 ] [ -3.2565765 -2.285518 5.0240293 ] [ 4.2906955 0.1141524 -5.3495147 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.733661662734161e-09 -4.907915959834846e-09 -3.774132300213816e-09 ] [ -6.705036154035489e-09 -7.014425594467703e-09 9.015985129343378e-09 ] [ 5.711764506739901e-10 1.429340948410101e-08 -6.322958683418973e-09 ] [ 5.801828943608251e-09 -1.909845817380288e-09 -9.101992694756778e-10 ] [ 4.088511239119631e-10 3.017688955555552e-09 2.512790066135567e-09 ] [ -5.2176107751335e-09 -3.661803536186412e-09 8.049382352991375e-09 ] [ 6.874452073708946e-09 1.828923079950216e-10 -8.57086745557952e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.467427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.837284359150072e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8069437 1.3169902 1.3369596 ] [ 2.0821256 2.0925665 3.6003907 ] [ 2.9044091 3.6403927 2.2019148 ] [ 4.9102105 2.528738 1.7986967 ] [ 4.1838998 2.5741932 4.6383934 ] [ 3.5667454 0.2652976 5.1212643 ] [ 4.8493499 0.5971864 3.2868906 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8069437e-10 1.3169902e-10 1.3369596e-10 ] [ 2.0821256e-10 2.0925665e-10 3.6003907e-10 ] [ 2.9044091e-10 3.6403927e-10 2.2019148e-10 ] [ 4.910210499999999e-10 2.528738e-10 1.7986967e-10 ] [ 4.1838998e-10 2.5741932e-10 4.6383934e-10 ] [ 3.5667454e-10 2.652976e-11 5.1212643e-10 ] [ 4.8493499e-10 5.971864e-11 3.2868906e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.7275134 -1.2048355 -0.9170605 ] [ -1.846841 -1.4711543 1.8772332 ] [ -0.3936832 3.9275554 -1.5894274 ] [ 1.9511312 -0.8023116 -0.5806973 ] [ 0.0936643 0.6681042 1.0821316 ] [ -1.3092327 -1.1737479 2.2813923 ] [ 2.232475 0.0563896 -2.1535719 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.165604970401895e-09 -1.930359285913707e-09 -1.469292905064357e-09 ] [ -2.958965496913194e-09 -2.357049044468626e-09 3.007659169609049e-09 ] [ -6.307500242383488e-10 6.292637490620523e-09 -2.546543441719371e-09 ] [ 3.126056818508381e-09 -1.285444898707154e-09 -9.30379645486888e-10 ] [ 1.500667528999662e-10 1.070420938317263e-09 1.733765964433034e-09 ] [ -2.097622040408731e-09 -1.880551459586568e-09 3.655193436047517e-09 ] [ 3.576819280989149e-09 9.034609952060639e-11 -3.450402577818984e-09 ] ] } "relaxed-potential-energy" { "source-value" -13.776819 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.207289749264724e-18 } }