{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4191919 0.8222526 0.2510936 ] [ 0.2848942 2.623705 0.3718827 ] [ 0.6213019 2.72569 2.983351 ] [ 2.411362 0.3472546 0.8650246 ] [ 2.114314 0.6145619 2.800723 ] [ 2.695562 2.69906 2.453497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.191919e-11 8.222526e-11 2.510936e-11 ] [ 2.848942e-11 2.623705000000001e-10 3.718827e-11 ] [ 6.213019e-11 2.72569e-10 2.983351e-10 ] [ 2.411362e-10 3.472546e-11 8.650246000000001e-11 ] [ 2.114314e-10 6.145619e-11 2.800723e-10 ] [ 2.695562e-10 2.69906e-10 2.453497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.431737 -23.255102 -3.6009332 ] [ -1.9064484 24.1634216 3.5707736 ] [ -3.1566323 2.1592099 -2.2250038 ] [ 2.6493445 -2.128537 2.0896268 ] [ 2.2970062 -4.8021666 -1.0843896 ] [ 2.548467 3.863174 1.2499262 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.89607216933433e-09 -3.725878073871932e-08 -5.769330986102531e-09 ] [ -3.054467055241566e-09 3.871406916605373e-08 5.721009980089851e-09 ] [ -5.057482471522132e-09 3.459435621179906e-09 -3.564849069551159e-09 ] [ 4.244717818345066e-09 -3.41029221790777e-09 3.347951205157118e-09 ] [ 3.68020963147265e-09 -7.693919055706624e-09 -1.737383664958664e-09 ] [ 4.083094246280314e-09 6.189487064882419e-09 2.002602535365385e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -8.5725168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.373468599837523e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6218948 0.8658187 -0.2440912 ] [ -0.1334886 2.6631414 0.7734483 ] [ 0.5401512 2.8631425 2.6958911 ] [ 2.1629166 -0.1503744 0.9513011 ] [ 2.3758589 0.6140581 2.8380642 ] [ 2.9792931 2.9767377 2.7109583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.218948e-11 8.658187000000001e-11 -2.440912e-11 ] [ -1.334886e-11 2.6631414e-10 7.734483e-11 ] [ 5.401512000000001e-11 2.8631425e-10 2.6958911e-10 ] [ 2.1629166e-10 -1.503744e-11 9.513011000000001e-11 ] [ 2.3758589e-10 6.140581000000001e-11 2.8380642e-10 ] [ 2.9792931e-10 2.9767377e-10 2.7109583e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.19e-05 1.31e-05 4.28e-05 ] [ -1.14e-05 -8.8e-06 -3.75e-05 ] [ -1.12e-05 -3.16e-05 9.5e-06 ] [ -1.5e-05 -5.7e-06 -3.72e-05 ] [ -2.42e-05 -8.9e-06 2.06e-05 ] [ 4.99e-05 4.2e-05 1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.906590178752e-14 2.098851373248e-14 6.857315937023999e-14 ] [ -1.826481347712e-14 -1.409915426304e-14 -6.008162327999999e-14 ] [ -1.794437815296e-14 -5.062878121728e-14 1.52206778976e-14 ] [ -2.4032649312e-14 -9.13240673856e-15 -5.960097029376001e-14 ] [ -3.877267422336e-14 -1.425937192512e-14 3.300483838848e-14 ] [ 7.994861337792e-14 6.72914180736e-14 2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.062089 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252995023540885e-18 } }