{ "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" [ [ 0.7440121 1.644003 0.1699327 ] [ 1.624629 1.787277 2.54743 ] [ 2.897237 1.241702 0.9240311 ] [ 2.052276 3.648887 1.374272 ] [ 4.460812 2.919724 2.096642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.440121e-11 1.644003e-10 1.699327e-11 ] [ 1.624629e-10 1.787277e-10 2.54743e-10 ] [ 2.897237e-10 1.241702e-10 9.240311e-11 ] [ 2.052276e-10 3.648887e-10 1.374272e-10 ] [ 4.460812e-10 2.919724e-10 2.096642e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.632262 0.6316791 0.8183487 ] [ -3.2647393 -0.5416348 3.2183325 ] [ 2.7338703 -0.6540694 -2.4734834 ] [ 0.9190565 0.5139369 -0.7234213 ] [ -1.0204494 0.0500883 -0.8397765 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.01299539462025e-09 1.012061485867985e-09 1.311139154802073e-09 ] [ -5.230688979466958e-09 -8.677946135716838e-10 5.156337089460816e-09 ] [ 4.380143078959483e-09 -1.047934701060684e-09 -3.962957275416895e-09 ] [ 1.472490837494275e-09 8.234176857464276e-10 -1.159048693848743e-09 ] [ -1.634940171389388e-09 8.025030323561664e-11 -1.345470274997251e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.6089783992349496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.782220816226446e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.0609306 1.9258328 0.2332117 ] [ 1.1215199 1.5756168 2.5265554 ] [ 3.0672218 1.1564501 1.2369268 ] [ 2.1210964 3.5277758 1.6240477 ] [ 4.4081974 3.0559174 1.4915663 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0609306e-10 1.9258328e-10 2.332117e-11 ] [ 1.1215199e-10 1.5756168e-10 2.5265554e-10 ] [ 3.0672218e-10 1.1564501e-10 1.2369268e-10 ] [ 2.1210964e-10 3.5277758e-10 1.6240477e-10 ] [ 4.4081974e-10 3.0559174e-10 1.4915663e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0 5e-07 -6.7e-06 ] [ 1.1e-06 -1.2e-06 5.8e-06 ] [ -0.0 2.2e-06 8e-07 ] [ 2.2e-06 -1e-07 4e-07 ] [ -3.3e-06 -1.4e-06 -3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 8.010883104e-16 -1.073458335936e-14 ] [ 1.76239428288e-15 -1.92261194496e-15 9.292624400640001e-15 ] [ 0.0 3.52478856576e-15 1.28174129664e-15 ] [ 3.52478856576e-15 -1.6021766208e-16 6.408706483200001e-16 ] [ -5.28718284864e-15 -2.24304726912e-15 -4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -5.057896399234949 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.103643361282738e-19 } }