{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.3808778 0.540404 -3.7531082 ] [ 0.7445772 -1.8880003 4.5405046 ] [ 1.5399023 -0.5465343 -0.8291197 ] [ -3.1601957 -5.0968364 3.8825579 ] [ 2.1658548 6.9268005 -3.8073016 ] [ -2.2658482 -0.2619485 -0.3908089 ] [ 2.3565874 0.326115 0.3572759 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.212410145569325e-09 8.658226617201359e-10 -6.013142262913798e-09 ] [ 1.192944192049145e-09 -3.02490996564499e-09 7.274690376689516e-09 ] [ 2.467195483702858e-09 -8.756444851395462e-10 -1.32839621012909e-09 ] [ -5.063191709407273e-09 -8.166032187400677e-09 6.220543547532108e-09 ] [ 3.470081953196743e-09 1.109795790947952e-08 -6.099969662110814e-09 ] [ -3.630289042230958e-09 -4.196877660113489e-10 -6.261448879392426e-10 ] [ 3.775669268258812e-09 5.224938329969099e-10 5.724190988713205e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.656442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.431050515197622e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.887672 1.0984559 2.5832653 ] [ 2.521089 2.6685236 0.8276407 ] [ 1.0636875 2.7217724 2.6163497 ] [ 2.2049407 2.2803084 4.608154 ] [ 2.7031005 4.1659532 3.3688722 ] [ 4.3425387 3.0691339 2.1864334 ] [ 4.4459246 1.9239857 4.1870383 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.887672e-10 1.0984559e-10 2.5832653e-10 ] [ 2.521089e-10 2.6685236e-10 8.276407e-11 ] [ 1.0636875e-10 2.7217724e-10 2.6163497e-10 ] [ 2.2049407e-10 2.2803084e-10 4.608154e-10 ] [ 2.7031005e-10 4.1659532e-10 3.3688722e-10 ] [ 4.3425387e-10 3.0691339e-10 2.1864334e-10 ] [ 4.4459246e-10 1.9239857e-10 4.1870383e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.01e-05 1.26e-05 3.51e-05 ] [ 3.32e-05 0.0001304 0.0001233 ] [ 5.4e-06 -7.38e-05 -0.0001294 ] [ 1.11e-05 -1.63e-05 0.000142 ] [ 3.37e-05 -3.72e-05 -0.0001308 ] [ -5.85e-05 -2.14e-05 6.2e-06 ] [ 2.52e-05 5.8e-06 -4.64e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.026904936339999e-14 2.01874255884e-14 5.62363998534e-14 ] [ 5.31922642488e-14 2.089238330736e-13 1.975483789722e-13 ] [ 8.6517538236e-15 -1.182406355892e-13 -2.073216564396e-13 ] [ 1.77841606374e-14 -2.61154791342e-14 2.27509082028e-13 ] [ 5.399335256579999e-14 -5.96009707848e-14 -2.095647037272e-13 ] [ -9.372733308899998e-14 -3.42865799676e-14 9.9334951308e-15 ] [ 4.037485117679999e-14 9.2926244772e-15 -7.43409958176e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.398971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.870452103384361e-18 } }