{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.409893 -2.1307099 -2.7029558 ] [ 0.1854186 2.3335635 1.0604594 ] [ 2.1098388 1.6867468 -1.7445404 ] [ 0.4727856 -2.181694 1.0678489 ] [ 1.0984768 -0.6927778 3.1254028 ] [ -2.5740482 1.0899473 -0.8695263 ] [ 0.1174214 -0.1050759 0.0633115 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.258897602429575e-09 -3.413773587487105e-09 -4.33061258981576e-09 ] [ 2.970733459814669e-10 3.738780882852221e-09 1.699043257987596e-09 ] [ 3.380334399016727e-09 2.702466288169214e-09 -2.79506184292108e-09 ] [ 7.574860349709005e-10 -3.495459120539635e-09 1.710882542126997e-09 ] [ 1.759953847451198e-09 -1.109952394569258e-09 5.007447296742858e-09 ] [ -4.124079846852323e-09 1.746288081964084e-09 -1.393134709030727e-09 ] [ 1.881298218616051e-10 -1.683501503895187e-10 1.014362051277792e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.354818 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.542942648663902e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6809752 2.2830713 1.6659061 ] [ 2.5618718 2.2867605 4.0570833 ] [ 2.8108532 4.5690771 0.9757255 ] [ 1.798348 4.3067346 3.0634759 ] [ 4.7830431 2.376304 3.2151476 ] [ 4.7585299 3.3093579 1.0747047 ] [ 3.8153318 4.2535076 4.4226579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6809752e-10 2.2830713e-10 1.6659061e-10 ] [ 2.5618718e-10 2.2867605e-10 4.0570833e-10 ] [ 2.8108532e-10 4.569077100000001e-10 9.757255e-11 ] [ 1.798348e-10 4.306734600000001e-10 3.0634759e-10 ] [ 4.783043100000001e-10 2.376304e-10 3.2151476e-10 ] [ 4.7585299e-10 3.3093579e-10 1.0747047e-10 ] [ 3.8153318e-10 4.2535076e-10 4.4226579e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.3e-06 -5.26e-05 -5.4e-06 ] [ -3.98e-05 5.4e-06 -2e-05 ] [ 1.43e-05 -7.4e-06 4.33e-05 ] [ 1.48e-05 -1.18e-05 2.08e-05 ] [ -2.62e-05 3.27e-05 -1.29e-05 ] [ 3.23e-05 5.1e-06 -4.14e-05 ] [ 1.38e-05 2.87e-05 1.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.490024257344e-14 -8.427449025408001e-14 -8.65175375232e-15 ] [ -6.376662950784e-14 8.65175375232e-15 -3.2043532416e-14 ] [ 2.291112567744e-14 -1.185610699392e-14 6.937424768064e-14 ] [ 2.371221398784e-14 -1.890568412544e-14 3.332527371264e-14 ] [ -4.197702746496e-14 5.239117550016001e-14 -2.066807840832e-14 ] [ 5.175030485184e-14 8.17110076608e-15 -6.633011210111999e-14 ] [ 2.211003736704e-14 4.598246901696e-14 2.515417294656e-14 ] ] } "relaxed-potential-energy" { "source-value" -31.651308 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.071098569534001e-18 } }