{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9746304 2.6433921 0.3633885 ] [ -0.5167507 -0.3252013 -0.0219603 ] [ -5.0660664 -2.3335946 1.1707123 ] [ -0.2325746 -2.4753976 -0.1779266 ] [ 0.0276666 0.1788605 0.6596088 ] [ 4.4264378 2.168848 -0.8878669 ] [ 0.3866568 0.1430929 -1.1059558 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.561530053666073e-09 4.235181057120191e-09 5.82212563764309e-10 ] [ -8.279258971431438e-10 -5.210299242064242e-10 -3.51842795356302e-11 ] [ -8.116733212372498e-09 -3.738830741348576e-09 1.875687892196398e-09 ] [ -3.726255897818963e-10 -3.966024194579678e-09 -2.850698410870644e-10 ] [ 4.432678006222439e-11 2.86566113845557e-10 1.056809806940779e-09 ] [ 7.091935215014365e-09 3.474877588297632e-09 -1.422519601282015e-09 ] [ 6.194924903372112e-10 2.292601008712985e-10 -1.771936540996777e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.260211 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.246043666410977e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4781742 1.2482117 1.5064879 ] [ 1.2083373 1.8832624 3.8341276 ] [ 1.4191248 3.618763 2.0270524 ] [ 3.8128815 1.2209581 1.7526736 ] [ 3.5481254 1.286064 4.0845985 ] [ 3.8253278 3.5683122 1.7081918 ] [ 2.993181 3.6475494 3.9875052 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4781742e-10 1.2482117e-10 1.5064879e-10 ] [ 1.2083373e-10 1.8832624e-10 3.8341276e-10 ] [ 1.4191248e-10 3.618763e-10 2.0270524e-10 ] [ 3.8128815e-10 1.2209581e-10 1.7526736e-10 ] [ 3.5481254e-10 1.286064e-10 4.084598500000001e-10 ] [ 3.825327800000001e-10 3.5683122e-10 1.7081918e-10 ] [ 2.993181e-10 3.6475494e-10 3.9875052e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.78e-05 -5.24e-05 9e-07 ] [ -2.93e-05 2.47e-05 -1.4e-05 ] [ 6.1e-06 1.51e-05 -2.12e-05 ] [ -2.89e-05 2e-05 6.9e-06 ] [ 3.1e-05 -1.66e-05 -3.2e-05 ] [ -2.07e-05 -1.32e-05 2.2e-05 ] [ 2.41e-05 2.24e-05 3.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.851874408519999e-14 -8.395405562159998e-14 1.4419589706e-15 ] [ -4.69437753762e-14 3.95737628598e-14 -2.243047287599999e-14 ] [ 9.773277467399999e-15 2.41928671734e-14 -3.39661446408e-14 ] [ -4.63029047226e-14 3.204353268e-14 1.10550187746e-14 ] [ 4.966747565399999e-14 -2.65961321244e-14 -5.126965228799999e-14 ] [ -3.316505632379999e-14 -2.11487315688e-14 3.5247885948e-14 ] [ 3.86124568794e-14 3.588875660159999e-14 6.008162377499999e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.526286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.609108908000132e-18 } }