{ "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" [ [ 1.201304 1.645112 1.368441 ] [ 2.96083 0.196256 2.000233 ] [ 1.817638 2.196428 3.68098 ] [ 1.740873 3.89811 0.9150282 ] [ 4.00836 2.276208 0.7214657 ] [ 3.949621 2.27126 3.236775 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.201304e-10 1.645112e-10 1.368441e-10 ] [ 2.96083e-10 1.96256e-11 2.000233e-10 ] [ 1.817638e-10 2.196428e-10 3.68098e-10 ] [ 1.740873e-10 3.89811e-10 9.150282e-11 ] [ 4.00836e-10 2.276208e-10 7.214657e-11 ] [ 3.949621e-10 2.27126e-10 3.236775e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -35.0279566 -33.2008032 12.7653998 ] [ 9.7142202 -12.1574115 1.0349765 ] [ -49.2124267 -0.0046401 5.8664236 ] [ 24.3799653 26.7909943 -11.1102095 ] [ -0.2183766 17.3132141 -6.9654521 ] [ 50.3645743 1.2586464 -1.5911382 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.612097360128608e-08 -5.319355111707243e-08 2.045242528322827e-08 ] [ 1.55638966219708e-08 -1.947832063522289e-08 1.658215165039101e-09 ] [ -7.884700016117772e-08 -7.434259799423399e-12 9.39904681706616e-09 ] [ 3.90610107413908e-08 4.292390506908718e-08 -1.780051805974482e-08 ] [ -3.498778859323644e-10 2.773882709045934e-08 -1.115988459986623e-08 ] [ 8.06929441248169e-08 2.016573852548217e-09 -2.549284445504819e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 8.5130763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.363945193131917e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5948174 1.5099084 1.70951 ] [ 3.0313267 0.2603357 1.4826166 ] [ 1.5716003 2.4299907 4.1595666 ] [ 1.7892833 3.5656784 0.2430535 ] [ 4.422474 2.7587319 0.7844623 ] [ 4.2691243 1.9587289 3.543714 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.948174000000001e-11 1.5099084e-10 1.70951e-10 ] [ 3.0313267e-10 2.603357e-11 1.4826166e-10 ] [ 1.5716003e-10 2.4299907e-10 4.1595666e-10 ] [ 1.7892833e-10 3.5656784e-10 2.430535e-11 ] [ 4.422474e-10 2.7587319e-10 7.844622999999999e-11 ] [ 4.2691243e-10 1.9587289e-10 3.543714e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.8e-05 -1.41e-05 1.2e-06 ] [ -1e-05 3.04e-05 -5.6e-06 ] [ 4.8e-06 8.8e-06 -3e-07 ] [ -9.5e-06 -2.12e-05 -2.64e-05 ] [ 2.85e-05 3.45e-05 -2.89e-05 ] [ 3.42e-05 -3.84e-05 6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.690447843199999e-14 -2.25906905394e-14 1.9226119608e-15 ] [ -1.602176634e-14 4.870616967359999e-14 -8.972189150399999e-15 ] [ 7.690447843199998e-15 1.40991543792e-14 -4.806529901999999e-16 ] [ -1.5220678023e-14 -3.39661446408e-14 -4.22974631376e-14 ] [ 4.5662034069e-14 5.527509387299999e-14 -4.63029047226e-14 ] [ 5.479444088279999e-14 -6.152358274559999e-14 9.613059803999999e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.691321 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.514026786279351e-18 } }