{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.3142934 0.7540522 2.32218 ] [ 0.538251 2.820956 1.392978 ] [ 2.532298 0.1763292 2.432177 ] [ 1.796653 2.418536 0.8624239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.142934e-11 7.540522e-11 2.32218e-10 ] [ 5.38251e-11 2.820956e-10 1.392978e-10 ] [ 2.532298e-10 1.763292e-11 2.432177e-10 ] [ 1.796653e-10 2.418536e-10 8.624239e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -16.8955225 -12.8186146 8.6515943 ] [ 119.1672038 -24.5241915 -56.8685604 ] [ 15.4583761 -11.4815899 5.5575774 ] [ -117.7300573 48.8243959 42.6593887 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.706961114570037e-08 -2.053768462316554e-08 1.386138212010654e-08 ] [ 1.909269078944689e-07 -3.929208626532209e-08 -9.111347793143269e-08 ] [ 2.476704878295348e-08 -1.839553490739341e-08 8.904220578566449e-09 ] [ -1.886243453715044e-07 7.822530563566337e-08 6.834787523275971e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 115.25797 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.846636248948678e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.2365876 0.6951175 2.3619908 ] [ 1.1707831 2.6755864 1.0950397 ] [ 2.6033416 0.123583 2.4576887 ] [ 1.1707831 2.6755864 1.0950397 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.365876e-11 6.951175e-11 2.3619908e-10 ] [ 1.1707831e-10 2.6755864e-10 1.0950397e-10 ] [ 2.6033416e-10 1.23583e-11 2.4576887e-10 ] [ 1.1707831e-10 2.6755864e-10 1.0950397e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -16.5729532 -11.9612352 8.771036 ] [ 1.1992118 11.0503449 1.4130755044388775e+113 ] [ 14.1745296 -10.1394546 4.5454693 ] [ 1.1992118 11.0503449 -1.4130755044388775e+113 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.655279815465255e-08 -1.916401139333001e-08 1.405274881939515e-08 ] [ 1.921349109347486e-09 1.770460425055652e-08 2.263996536637136e+104 ] [ 2.271009993595758e-08 -1.624519710778302e-08 7.282644643024141e-09 ] [ 1.921349109347486e-09 1.770460425055652e-08 -2.263996536637136e+104 ] ] } "relaxed-potential-energy" { "source-value" -5.2294299e+96 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.378470325892482e+77 } }