{ "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" [ [ 2.510917 2.898515 1.87318 ] [ 1.068289 2.930408 3.679489 ] [ 1.738918 4.773151 2.611531 ] [ 3.136153 2.016935 3.60422 ] [ 3.930075 4.659698 3.066974 ] [ 4.662989 3.229538 1.53666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.510917e-10 2.898515000000001e-10 1.87318e-10 ] [ 1.068289e-10 2.930408e-10 3.679489e-10 ] [ 1.738918e-10 4.773151000000001e-10 2.611531e-10 ] [ 3.136153000000001e-10 2.016935e-10 3.604220000000001e-10 ] [ 3.930075e-10 4.659698e-10 3.066974e-10 ] [ 4.662989e-10 3.229538e-10 1.53666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.1246952 -16.9676224 -31.5379689 ] [ -19.1931297 -3.7448752 15.1713122 ] [ -11.2755797 22.6092401 -2.9328902 ] [ 5.9518439 -27.5246715 20.9516847 ] [ 16.9168763 24.4089998 10.5188888 ] [ 15.7246845 1.2189292 -12.1710265 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.301719670056598e-08 -2.718512791984239e-08 -5.05293964390975e-08 ] [ -3.075078368532212e-08 -5.999951493253724e-09 2.430712171369781e-08 ] [ -1.806547018130708e-08 3.622399590227386e-08 -4.699008109813436e-09 ] [ 9.535905147231093e-09 -4.409938517250007e-08 3.356829939271307e-08 ] [ 2.71038237048256e-08 3.910752881667188e-08 1.685311771215496e-08 ] [ 2.519372187535614e-08 1.952939866650448e-09 -1.950013410943725e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 16.637955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.665694251892247e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7786363 2.5302721 1.4100506 ] [ 1.2856402 3.15874 4.4846461 ] [ 1.7756975 4.5921388 2.598462 ] [ 2.2216369 1.2343903 3.375481 ] [ 4.0248391 5.4585304 2.8062606 ] [ 4.960891 3.5341734 1.6971538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7786363e-10 2.5302721e-10 1.4100506e-10 ] [ 1.2856402e-10 3.15874e-10 4.4846461e-10 ] [ 1.7756975e-10 4.5921388e-10 2.598462e-10 ] [ 2.2216369e-10 1.2343903e-10 3.375481000000001e-10 ] [ 4.0248391e-10 5.4585304e-10 2.8062606e-10 ] [ 4.960891e-10 3.5341734e-10 1.6971538e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.49e-05 4.4e-06 3.38e-05 ] [ -2.16e-05 -4.1e-06 -3.55e-05 ] [ -1.52e-05 5.6e-06 -4e-06 ] [ 2.5e-05 -1.76e-05 1.46e-05 ] [ 3.62e-05 7.3e-06 1.51e-05 ] [ 5e-07 4.5e-06 -2.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.989419785791999e-14 7.04957713152e-15 5.415356978304e-14 ] [ -3.460701500928e-14 -6.568924145279999e-15 -5.68772700384e-14 ] [ -2.435308463616e-14 8.972189076479999e-15 -6.4087064832e-15 ] [ 4.005441552e-14 -2.819830852608e-14 2.339177866368e-14 ] [ 5.799879367296e-14 1.169588933184e-14 2.419286697408e-14 ] [ 8.010883104e-16 7.2097947936e-15 -3.84522388992e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.987622 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.241064094898774e-18 } }