{ "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" [ [ 0.3325294 1.292007 2.781643 ] [ 0.956748 2.703021 0.8878135 ] [ 2.470464 0.5148963 2.530425 ] [ 2.599779 2.407063 2.409401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.325294e-11 1.292007e-10 2.781643e-10 ] [ 9.567480000000001e-11 2.703021e-10 8.878135e-11 ] [ 2.470464e-10 5.148963e-11 2.530425e-10 ] [ 2.599779e-10 2.407063e-10 2.409401e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.1418887 -0.9970309 2.6545551 ] [ -4.1925336 3.2573702 -6.1493418 ] [ 2.133961 -53.2921963 3.6979939 ] [ 10.2004613 51.0318571 -0.2032072 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.304474372429571e-08 -1.597419598195183e-09 4.253066119845406e-09 ] [ -6.717179315838459e-09 5.21888237973062e-09 -9.85233166526819e-09 ] [ 3.418982423898989e-09 -8.538351098294426e-08 5.924839370441013e-09 ] [ 1.634294061623518e-08 8.176204836162649e-08 -3.255738250182298e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 0.034111324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.465236581733394e-21 } "relaxed-configuration-positions" { "source-value" [ [ 0.3384053 1.2161843 2.5941526 ] [ 0.6561936 3.0752307 0.8180438 ] [ 2.6333052 0.0573387 2.9137172 ] [ 2.7316163 2.5682336 2.2833689 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.384053000000001e-11 1.2161843e-10 2.5941526e-10 ] [ 6.561936000000001e-11 3.0752307e-10 8.180438e-11 ] [ 2.6333052e-10 5.73387e-12 2.9137172e-10 ] [ 2.7316163e-10 2.5682336e-10 2.2833689e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-06 -2.1e-06 8.2e-06 ] [ -2.8e-06 -1.7e-06 -9.9e-06 ] [ -3.1e-06 -1.43e-05 -3.5e-06 ] [ 8.6e-06 1.81e-05 5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.32587687616e-15 -3.36457090368e-15 1.313784829056e-14 ] [ -4.48609453824e-15 -2.72370025536e-15 -1.586154854592e-14 ] [ -4.96674752448e-15 -2.291112567744e-14 -5.6076181728e-15 ] [ 1.377871893888e-14 2.899939683648e-14 8.491536090240001e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.069862 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933805071268233e-18 } }