{ "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" [ [ 2.61879 2.030613 1.31449 ] [ 0.5326459 2.599792 1.87087 ] [ 1.791863 1.569063 3.307142 ] [ 2.645053 4.244738 2.416375 ] [ 4.072939 1.030921 3.139936 ] [ 4.500349 3.153395 1.645552 ] [ 3.28786 3.426147 4.164789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61879e-10 2.030613e-10 1.31449e-10 ] [ 5.326459000000001e-11 2.599792e-10 1.87087e-10 ] [ 1.791863e-10 1.569063e-10 3.307142e-10 ] [ 2.645053e-10 4.244738e-10 2.416375e-10 ] [ 4.072939e-10 1.030921e-10 3.139936e-10 ] [ 4.500349e-10 3.153395e-10 1.645552e-10 ] [ 3.28786e-10 3.426147e-10 4.164789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.5071061 -1.2257772 -2.6924959 ] [ -1.2151101 1.5558258 -0.742962 ] [ 0.2293016 -1.3771621 3.2620004 ] [ -1.6128386 1.8191215 -2.5783479 ] [ 0.0021911 0.9836827 -0.3339963 ] [ 1.2112112 0.0149116 0.4519009 ] [ 0.8781387 -1.7706023 2.6339008 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.124735443788673e-10 -1.963911588329945e-09 -4.3138540181208e-09 ] [ -1.946821009957403e-09 2.492707743334357e-09 -1.190356356349908e-09 ] [ 3.673816656588143e-10 -2.206456937850371e-09 5.226300820978653e-09 ] [ -2.584052319333272e-09 2.914553961707031e-09 -4.130968759702968e-09 ] [ 3.510529222757399e-12 1.576033437210032e-09 -5.351210677024542e-10 ] [ 1.9405742834791e-09 2.38910170955544e-11 7.240250628635705e-10 ] [ 1.406933306551136e-09 -2.836817633166658e-09 4.219974318033907e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.456768 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.277535569675891e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7703644 1.5608521 0.8708718 ] [ 1.0508032 2.7576644 1.8742281 ] [ 1.6357851 1.530961 3.7580947 ] [ 2.5906079 4.433128 2.4966746 ] [ 3.9357169 1.35115 2.9933306 ] [ 4.3003188 3.2254053 1.489581 ] [ 3.1659037 3.1955082 4.3763734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7703644e-10 1.5608521e-10 8.708718000000001e-11 ] [ 1.0508032e-10 2.7576644e-10 1.8742281e-10 ] [ 1.6357851e-10 1.530961e-10 3.7580947e-10 ] [ 2.5906079e-10 4.433128e-10 2.4966746e-10 ] [ 3.9357169e-10 1.35115e-10 2.9933306e-10 ] [ 4.300318800000001e-10 3.2254053e-10 1.489581e-10 ] [ 3.1659037e-10 3.1955082e-10 4.3763734e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2e-05 3.47e-05 -2e-07 ] [ 2.22e-05 -1.25e-05 -1.05e-05 ] [ -1.37e-05 -4.07e-05 2.87e-05 ] [ 6.43e-05 -9.1e-06 5.8e-06 ] [ -1.6e-05 1.25e-05 1.31e-05 ] [ -5.72e-05 -1.7e-06 -3.15e-05 ] [ -1.95e-05 1.68e-05 -5.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.204353268e-14 5.55955291998e-14 -3.204353268e-16 ] [ 3.55683212748e-14 -2.0027207925e-14 -1.6822854657e-14 ] [ -2.19498198858e-14 -6.520858900379999e-14 4.598246939579999e-14 ] [ 1.030199575662e-13 -1.45798073694e-14 9.2926244772e-15 ] [ -2.5634826144e-14 2.0027207925e-14 2.09885139054e-14 ] [ -9.164450346479999e-14 -2.7237002778e-15 -5.046856397099999e-14 ] [ -3.1242444363e-14 2.691656745119999e-14 -8.6517538236e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }