{ "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" [ [ 0.1501776 0.7389508 1.254214 ] [ 0.5251994 1.126951 2.894489 ] [ 1.795844 1.050789 0.3566565 ] [ 2.560887 2.159455 0.963327 ] [ 1.607121 2.890729 1.590789 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.501776e-11 7.389508e-11 1.254214e-10 ] [ 5.251994e-11 1.126951e-10 2.894489e-10 ] [ 1.795844e-10 1.050789e-10 3.566565e-11 ] [ 2.560887e-10 2.159455e-10 9.633270000000001e-11 ] [ 1.607121e-10 2.890729e-10 1.590789e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.3601037 -16.8089469 -21.600337 ] [ 0.5429452 8.394378 36.0655904 ] [ -14.5275158 -47.6693351 -42.2988055 ] [ 99.4626219 -1.0024387 -21.0123514 ] [ -61.1179475 57.0863427 48.8459035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.902918894995694e-08 -2.693090196532673e-08 -3.460755522792565e-08 ] [ 8.698941129824568e-10 1.344927628856365e-08 5.77834462302947e-08 ] [ -2.327564636482581e-08 -7.637469485553604e-08 -6.777015781821068e-08 ] [ 1.593566887645567e-07 -1.606083862157335e-09 -3.366549843847718e-08 ] [ -9.79217474025387e-08 9.146240439445647e-08 7.825976525431882e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 42.694867 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.840471829913768e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0343294 0.1131603 1.2089313 ] [ 0.0480225 1.6904141 2.9145795 ] [ 1.8082265 0.5815172 -0.2162297 ] [ 2.9182558 2.4482275 0.6086215 ] [ 1.8303948 3.1335557 2.5435729 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.432940000000001e-12 1.131603e-11 1.2089313e-10 ] [ 4.80225e-12 1.6904141e-10 2.9145795e-10 ] [ 1.8082265e-10 5.815172e-11 -2.162297e-11 ] [ 2.9182558e-10 2.4482275e-10 6.086215000000001e-11 ] [ 1.8303948e-10 3.1335557e-10 2.5435729e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.9e-06 1.44e-05 -1.8e-06 ] [ 2.23e-05 -1.3e-06 -1.37e-05 ] [ -5.4e-06 5.7e-06 1.26e-05 ] [ -1.56e-05 -1.02e-05 1.29e-05 ] [ -1.02e-05 -8.6e-06 -1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.42593720426e-14 2.30713435296e-14 -2.8839179412e-15 ] [ 3.572853893819999e-14 -2.0828296242e-15 -2.19498198858e-14 ] [ -8.6517538236e-15 9.1324068138e-15 2.01874255884e-14 ] [ -2.49939554904e-14 -1.63422016668e-14 2.06680785786e-14 ] [ -1.63422016668e-14 -1.37787190524e-14 -1.602176634e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389316693314e-18 } }