{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.6583972 -3.019372 2.3001959 ] [ 3.0071499 1.0584112 -5.0877772 ] [ -1.866928 -0.6911037 0.1041416 ] [ 1.5678322 3.4586875 2.2223386 ] [ 0.9503431 -0.806623 0.4611011 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.861398463440182e-09 -4.837567227898138e-09 3.685320094240015e-09 ] [ 4.817985265021058e-09 1.695761679832873e-09 -8.151517681679285e-09 ] [ -2.991148394316903e-09 -1.107270190688377e-09 1.668532367727053e-10 ] [ 2.51194409617743e-09 5.5414282511532e-09 3.560578948421403e-09 ] [ 1.522617496558597e-09 -1.292352512399558e-09 7.387654022451629e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -8.0494094 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.289657555192776e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5754328 -0.6057972 0.7867991 ] [ 0.3352512 1.4432905 1.5504171 ] [ 1.1418918 3.2340323 2.5447942 ] [ 2.9092976 4.1457433 3.4894872 ] [ 5.0113645 4.0511761 4.1317133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.754328e-11 -6.057972e-11 7.867991e-11 ] [ 3.352512000000001e-11 1.4432905e-10 1.5504171e-10 ] [ 1.1418918e-10 3.2340323e-10 2.5447942e-10 ] [ 2.9092976e-10 4.145743300000001e-10 3.4894872e-10 ] [ 5.0113645e-10 4.0511761e-10 4.131713300000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0531186 -0.0848046 -0.0518904 ] [ 0.012162 0.0911624 0.0411561 ] [ 0.0833686 -0.0288943 0.0151019 ] [ -0.1209442 -0.0353872 -0.0534535 ] [ 0.0785322 0.0579237 0.0490858 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.510537904962689e-11 -1.358719474562957e-10 -8.313758572396033e-11 ] [ 1.94856720621696e-11 1.460582659760179e-10 6.593934122330688e-11 ] [ 1.335712218288269e-10 -4.629377193438144e-11 2.419591110965952e-11 ] [ -1.937739696613594e-10 -5.669654451557376e-11 -8.564194799993279e-11 ] [ 1.258224548199898e-10 9.280399793023296e-11 7.864412117326463e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.10857 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.779789114452026e-18 } }