{ "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" [ [ 0.7045014 0.2355369 2.055051 ] [ 1.708902 0.7477632 0.4591625 ] [ 1.937226 0.5087463 2.438455 ] [ 2.901588 1.905013 2.706295 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.045014e-11 2.355369e-11 2.055051e-10 ] [ 1.708902e-10 7.477632e-11 4.591625e-11 ] [ 1.937226e-10 5.087463e-11 2.438455e-10 ] [ 2.901588e-10 1.905013e-10 2.706295e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -56.360649 -9.7920754 -7.9927235 ] [ 4.2795713 3.3946088 -14.8908778 ] [ 42.4682916 -12.8352493 20.3323895 ] [ 9.6127861 19.2327159 2.5512118 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.02997141609149e-08 -1.568863427499081e-08 -1.280575472821875e-08 ] [ 6.856629083906663e-09 5.438762856121943e-09 -2.385781627434974e-08 ] [ 6.804170392683703e-08 -2.056433635059956e-08 3.257607910189941e-08 ] [ 1.540138115017121e-08 3.081420776946843e-08 4.087491900669086e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 16.725211 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.679674204214699e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5061198 -0.0994965 1.6907004 ] [ 1.533734 1.5727064 0.4805429 ] [ 2.0924101 0.125781 3.348911 ] [ 3.1199534 1.7980685 2.1388092 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.061198000000001e-11 -9.94965e-12 1.6907004e-10 ] [ 1.533734e-10 1.5727064e-10 4.805429e-11 ] [ 2.0924101e-10 1.25781e-11 3.348911e-10 ] [ 3.1199534e-10 1.7980685e-10 2.1388092e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.06e-05 2e-07 -1.14e-05 ] [ -1.89e-05 1.04e-05 -2.5e-06 ] [ -1.2e-06 1.52e-05 1.26e-05 ] [ -5e-07 -2.59e-05 1.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.300483838848e-14 3.2043532416e-16 -1.826481347712e-14 ] [ -3.028113813312e-14 1.666263685632e-14 -4.005441552e-15 ] [ -1.92261194496e-15 2.435308463616e-14 2.018742542208e-14 ] [ -8.010883104e-16 -4.149637447872e-14 1.92261194496e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.6673908 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.548886752389701e-18 } }