{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.4317307 -10.9325777 5.6916029 ] [ 3.8199683 5.6602116 -4.9796323 ] [ -20.5603283 8.4872865 4.893609 ] [ 16.9495157 7.9080708 8.3207726 ] [ 11.2225749 -11.1229913 -13.9263522 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.831565166282162e-08 -1.751592039601944e-08 9.11895310125748e-09 ] [ 6.120263902457121e-09 9.068658694300963e-09 -7.978250451240531e-09 ] [ -3.29412773182326e-08 1.359813200433146e-08 7.840425931136467e-09 ] [ 2.715611778842254e-08 1.267012615139115e-08 1.333134732671323e-08 ] [ 1.79805471299569e-08 -1.78209966142218e-08 -2.231247590786665e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.038633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.249236958059137e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5491996 -0.313557 2.5713965 ] [ 0.9659105 2.5524339 -0.0929597 ] [ 0.4097046 2.2012513 2.2031679 ] [ 2.5199095 1.285853 3.2933055 ] [ 2.1306868 0.6920225 0.8488867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.491996000000001e-11 -3.13557e-11 2.5713965e-10 ] [ 9.659105e-11 2.5524339e-10 -9.295970000000001e-12 ] [ 4.097046e-11 2.2012513e-10 2.2031679e-10 ] [ 2.5199095e-10 1.285853e-10 3.2933055e-10 ] [ 2.1306868e-10 6.920225e-11 8.488867e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.45e-05 1.28e-05 -2.78e-05 ] [ -1.61e-05 -2.13e-05 -2.4e-05 ] [ 4.6e-06 1.56e-05 5.7e-06 ] [ 1.29e-05 -1.96e-05 3.98e-05 ] [ -1.59e-05 1.25e-05 6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.32315610016e-14 2.050786074624e-14 -4.454051005824e-14 ] [ -2.579504359488e-14 -3.412636202304e-14 -3.84522388992e-14 ] [ 7.370012455680001e-15 2.499395528448e-14 9.13240673856e-15 ] [ 2.066807840832e-14 -3.140266176767999e-14 6.376662950784e-14 ] [ -2.547460827072e-14 2.002720776e-14 1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.499658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.483318967799569e-18 } }