{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6505799 -3.4754258 -4.5764061 ] [ 0.3868263 -0.8103621 7.7253033 ] [ -5.911152 5.4896596 -1.1620046 ] [ 0.0359575 -1.5211807 -0.6337284 ] [ 4.4477018 -0.2697077 1.2876686 ] [ 2.5149281 0.1478641 -4.1421019 ] [ 2.1763181 0.4391528 1.501269 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.848873768142402e-09 -5.568245964085137e-09 -7.332210860706507e-09 ] [ 6.197640541705671e-10 -1.298343211002392e-09 1.237730033584909e-08 ] [ -9.470709536395164e-09 8.795404267270281e-09 -1.861736603382056e-09 ] [ 5.761026584241601e-11 -2.437200153552179e-09 -1.015344826416991e-09 ] [ 7.126003840250078e-09 -4.321193713897402e-10 2.063072526258267e-09 ] [ 4.029359004812965e-09 2.369044040756333e-10 -6.63637882515126e-09 ] [ 3.486845979243876e-09 7.036003491188582e-10 2.405298093331795e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.771571 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.449496177908728e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.6797503 2.350963 1.9818956 ] [ 2.6767033 2.6217559 4.3431671 ] [ 1.8944656 4.4705037 2.7265261 ] [ 3.6287081 1.2779944 2.3604682 ] [ 5.0478974 2.7343544 3.3392135 ] [ 3.8140386 3.5947477 1.2463112 ] [ 3.9760257 4.7073929 3.5655934 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6797503e-10 2.350963e-10 1.9818956e-10 ] [ 2.6767033e-10 2.6217559e-10 4.3431671e-10 ] [ 1.8944656e-10 4.4705037e-10 2.7265261e-10 ] [ 3.6287081e-10 1.2779944e-10 2.3604682e-10 ] [ 5.047897400000001e-10 2.7343544e-10 3.3392135e-10 ] [ 3.8140386e-10 3.5947477e-10 1.2463112e-10 ] [ 3.9760257e-10 4.7073929e-10 3.5655934e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.99e-05 3.19e-05 -7.77e-05 ] [ -4.03e-05 -8.41e-05 8.3e-05 ] [ -4.71e-05 4.12e-05 6.68e-05 ] [ 2.53e-05 -2.82e-05 -4.1e-06 ] [ 3.22e-05 1.25e-05 3.65e-05 ] [ 1.03e-05 -4.16e-05 -3.69e-05 ] [ 3.95e-05 6.83e-05 -6.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.188331475392e-14 5.110943420352001e-14 -1.2448912343616e-13 ] [ -6.456771781824e-14 -1.3474305380928e-13 1.329806595264e-13 ] [ -7.546251883968001e-14 6.600967677696001e-14 1.0702539826944e-13 ] [ 4.053506850624e-14 -4.518138070656001e-14 -6.568924145279999e-15 ] [ 5.159008718975999e-14 2.002720776e-14 5.84794466592e-14 ] [ 1.650241919424e-14 -6.665054742528e-14 -5.912031730752001e-14 ] [ 6.32859765216e-14 1.0942866320064e-13 -1.0830713956608e-13 ] ] } "relaxed-potential-energy" { "source-value" -32.399964 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.191046483556165e-18 } }