{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.3698789 -1.2078879 1.722416 ] [ 2.2652906 -2.7030909 -3.9403924 ] [ 1.7472097 -5.4016625 0.9995172 ] [ 0.5541644 4.1153151 6.2928273 ] [ -1.5256237 -1.3680305 -4.8410268 ] [ 3.0144956 1.3052339 1.2528493 ] [ -1.6856577 5.2601228 -1.4861906 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.001317866989622e-09 -1.935249769871329e-09 2.759614669227743e-09 ] [ 3.62939566853984e-09 -4.33082907955803e-09 -6.313204632071181e-09 ] [ 2.79933855603815e-09 -8.654417442254023e-09 1.601403103121105e-09 ] [ 8.878692530746295e-10 6.593461694767373e-09 1.008222086185731e-08 ] [ -2.444318644416625e-09 -2.191826501699337e-09 -7.75618002352779e-09 ] [ 4.82975441361581e-09 2.091215256484692e-09 2.007285874383256e-09 ] [ -2.700721379862181e-09 8.427645842130655e-09 -2.38113985299044e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -26.59932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.261680898428888e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4975734 2.4117551 3.2756267 ] [ 5.6403946 2.2295249 1.4846812 ] [ 4.4901314 1.2510942 3.2333682 ] [ 5.2884798 4.2970666 2.5068751 ] [ 3.5192159 3.219944 1.3035121 ] [ 4.4052328 3.2588967 4.4374712 ] [ 3.0558812 4.6801735 3.1114486 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4975734e-10 2.4117551e-10 3.2756267e-10 ] [ 5.6403946e-10 2.2295249e-10 1.4846812e-10 ] [ 4.4901314e-10 1.2510942e-10 3.2333682e-10 ] [ 5.2884798e-10 4.2970666e-10 2.5068751e-10 ] [ 3.5192159e-10 3.219944e-10 1.3035121e-10 ] [ 4.4052328e-10 3.2588967e-10 4.4374712e-10 ] [ 3.0558812e-10 4.680173500000001e-10 3.1114486e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.47e-05 9.4e-06 2.4e-06 ] [ -8.87e-05 -1e-07 -4.2e-05 ] [ 5.84e-05 5.11e-05 -2.75e-05 ] [ 1.95e-05 -2.81e-05 1.09e-05 ] [ 7.79e-05 -3.01e-05 -1e-07 ] [ 1.8e-06 -1.41e-05 8.93e-05 ] [ -3.42e-05 1.2e-05 -3.3e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.55955291998e-14 1.50604603596e-14 3.845223921599999e-15 ] [ -1.421130674358e-13 -1.602176634e-16 -6.729141862799998e-14 ] [ 9.35671154256e-14 8.187122599739999e-14 -4.4059857435e-14 ] [ 3.1242444363e-14 -4.50211634154e-14 1.74637253106e-14 ] [ 1.248095597886e-13 -4.82255166834e-14 -1.602176634e-16 ] [ 2.8839179412e-15 -2.25906905394e-14 1.430743734162e-13 ] [ -5.479444088279999e-14 1.9226119608e-14 -5.287182892199999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.337723 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.860639091936438e-18 } }