{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.349925 1.341612 0.6560134 ] [ 0.6162161 0.8811692 2.732129 ] [ 2.287058 0.0970069 0.7690432 ] [ 2.096073 0.9342159 2.106012 ] [ 2.754629 2.399765 1.157711 ] [ 1.653705 1.889806 0.0543731 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.49925e-11 1.341612e-10 6.560134e-11 ] [ 6.162161e-11 8.811692000000001e-11 2.732129e-10 ] [ 2.287058e-10 9.70069e-12 7.690432000000001e-11 ] [ 2.096073e-10 9.342159e-11 2.106012e-10 ] [ 2.754629e-10 2.399765e-10 1.157711e-10 ] [ 1.653705e-10 1.889806e-10 5.43731e-12 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -82.8805183 -18.3159466 9.0112284 ] [ -54.7755152 -1.1324649 28.9604423 ] [ 15.8531743 -57.9642937 -46.5080837 ] [ 57.524066 2.1777424 63.8275899 ] [ 45.0381455 46.2824296 23.1773705 ] [ 19.2406477 28.9525331 -78.4685474 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.327892287400466e-07 -2.934538143034125e-08 1.443757946716899e-08 ] [ -8.776004984571504e-08 -1.81440878665661e-09 4.639974358108739e-08 ] [ 2.539958522892741e-08 -9.286903620732473e-08 -7.451416438234956e-08 ] [ 9.216371367855617e-08 3.489127959404882e-09 1.022630722997902e-07 ] [ 7.215906376428872e-08 7.415262665894189e-08 3.713424114671961e-08 ] [ 3.082691591398929e-08 4.638707164575815e-08 -1.257204721124166e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 115.17261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.845268630985163e-17 } "relaxed-configuration-positions" { "source-value" [ [ -0.1005011 1.2905612 0.6338911 ] [ 0.1852485 0.8591123 2.9562437 ] [ 2.4522925 -0.4352195 0.5066374 ] [ 2.5610894 0.8631441 2.7258442 ] [ 3.0171779 2.6988685 1.1886328 ] [ 1.6422988 2.2671083 -0.5359675 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.005011e-11 1.2905612e-10 6.338911e-11 ] [ 1.852485e-11 8.591123e-11 2.9562437e-10 ] [ 2.4522925e-10 -4.352195e-11 5.066374e-11 ] [ 2.5610894e-10 8.631441e-11 2.7258442e-10 ] [ 3.0171779e-10 2.6988685e-10 1.1886328e-10 ] [ 1.6422988e-10 2.2671083e-10 -5.359675000000001e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.67993 -0.3371848 -0.1344455 ] [ 0.0767201 0.5782514 0.1000249 ] [ 0.6680227 0.3626177 0.4717351 ] [ -0.9174269 -0.7740964 -0.3093604 ] [ 0.1275767 -0.4085409 -0.8721214 ] [ -0.6348227 0.5789529 0.7441672 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.089367949780544e-09 -5.402296034491238e-10 -2.154054368717664e-10 ] [ 1.229191505654381e-10 9.264608740248691e-10 1.602575562778579e-10 ] [ 1.070290352103692e-09 5.809776012282682e-10 7.558029484307501e-10 ] [ -1.46987993047302e-09 -1.240239154325445e-09 -4.956500002813363e-10 ] [ 2.044004060988154e-10 -6.545546786205907e-10 -1.397292517579365e-09 ] [ -1.017098088293132e-09 9.275848009243604e-10 1.192287289806198e-09 ] ] } "relaxed-potential-energy" { "source-value" -14.538424 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.329312303607762e-18 } }