{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.2695363 -14.098081 16.7467293 ] [ 1.652843 25.612823 -16.109629 ] [ -24.937802 -4.2758452 -16.850261 ] [ -3.5125383 27.0016785 24.2134235 ] [ 13.6411007 -29.8609792 -24.058482 ] [ 12.0879646 4.3569519 -3.0775969 ] [ 19.3379683 -8.736548 19.1358161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.927102393271694e-08 -2.258761577634468e-08 2.683121815932635e-08 ] [ 2.648146412452935e-09 4.103626620328851e-08 -2.581047095356169e-08 ] [ -3.995476333853948e-08 -6.8506592135999e-09 -2.699709422857803e-08 ] [ -5.627706743924577e-09 4.326145801505802e-08 3.879418104122931e-08 ] [ 2.185545262351852e-08 -4.784256274843509e-08 -3.854593739233763e-08 ] [ 1.936705427517802e-08 6.98060647213014e-09 -4.930853801426556e-09 ] [ 3.098284070403152e-08 -1.3997492952097e-08 3.065895717534823e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.769588 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.366348859244823e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7208473 4.2204712 3.2987611 ] [ 2.5926327 5.5089157 0.3257124 ] [ 1.4172608 3.6167743 1.1206479 ] [ 2.7242311 4.2222366 4.5608308 ] [ 3.1945085 2.13206 1.5961382 ] [ 4.5960197 5.5106798 1.5877776 ] [ 4.3888989 3.6193954 2.9926849 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.208473e-11 4.2204712e-10 3.2987611e-10 ] [ 2.5926327e-10 5.5089157e-10 3.257124e-11 ] [ 1.4172608e-10 3.6167743e-10 1.1206479e-10 ] [ 2.7242311e-10 4.2222366e-10 4.5608308e-10 ] [ 3.1945085e-10 2.13206e-10 1.5961382e-10 ] [ 4.5960197e-10 5.5106798e-10 1.5877776e-10 ] [ 4.3888989e-10 3.6193954e-10 2.9926849e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.13e-05 -1.6e-06 4e-06 ] [ 2e-07 -5.8e-06 -2.1e-06 ] [ 7.9e-06 5.1e-06 3.3e-06 ] [ 4e-07 4e-07 -9.9e-06 ] [ -4.2e-06 4.3e-06 5.4e-06 ] [ -2e-06 2.8e-06 6.2e-06 ] [ 9.1e-06 -5.1e-06 -6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.810459581504e-14 -2.56348259328e-15 6.4087064832e-15 ] [ 3.2043532416e-16 -9.292624400640001e-15 -3.36457090368e-15 ] [ 1.265719530432e-14 8.17110076608e-15 5.28718284864e-15 ] [ 6.408706483200001e-16 6.408706483200001e-16 -1.586154854592e-14 ] [ -6.72914180736e-15 6.889359469440001e-15 8.65175375232e-15 ] [ -3.2043532416e-15 4.48609453824e-15 9.93349504896e-15 ] [ 1.457980724928e-14 -8.17110076608e-15 -1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.037353 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.889902527771674e-18 } }