{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1053749 -22.8884949 6.362846 ] [ -12.8034091 20.5651792 -4.7583144 ] [ 1.3455974 0.5894949 1.7133515 ] [ -0.032079 0.7698893 -1.0151043 ] [ 13.3269518 -0.0145618 -0.1375855 ] [ -1.9424361 0.9784932 -2.1651932 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.688292011991379e-10 -3.667141141408004e-08 1.01944031029508e-08 ] [ -2.051332272655797e-08 3.294904931680244e-08 -7.623660086095979e-09 ] [ 2.155884695289266e-09 9.44474946860834e-10 2.745091716512611e-09 ] [ -5.139622381864321e-11 1.233498637064078e-09 -1.626376377133549e-09 ] [ 2.135213060048848e-08 -2.333057551676544e-11 -2.204362714610784e-10 ] [ -3.112125706817931e-09 1.567718928651778e-09 -3.469021924555139e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8990506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.586002743943621e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0103963 0.5126146 0.8994831 ] [ 0.1987318 2.7832279 0.6066829 ] [ 0.4340705 3.2885849 2.8705074 ] [ 1.6144845 0.092805 2.4438738 ] [ 2.5289654 2.7940887 0.5320164 ] [ 2.4893933 2.1913962 2.7838748 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.03963e-12 5.126146e-11 8.994831e-11 ] [ 1.987318e-11 2.7832279e-10 6.066829e-11 ] [ 4.340705e-11 3.2885849e-10 2.8705074e-10 ] [ 1.6144845e-10 9.2805e-12 2.4438738e-10 ] [ 2.5289654e-10 2.7940887e-10 5.320164e-11 ] [ 2.4893933e-10 2.1913962e-10 2.7838748e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.26e-05 3.5e-06 9.5e-06 ] [ 1.96e-05 1.75e-05 -7.6e-06 ] [ 1.38e-05 -1.88e-05 2.3e-06 ] [ -3.6e-06 -1.08e-05 -1.4e-06 ] [ -2.4e-05 -1.15e-05 -2.3e-06 ] [ -1.84e-05 2.01e-05 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.018742542208e-14 5.6076181728e-15 1.52206778976e-14 ] [ 3.140266176767999e-14 2.8038090864e-14 -1.217654231808e-14 ] [ 2.211003736704e-14 -3.012092047104e-14 3.68500622784e-15 ] [ -5.76783583488e-15 -1.730350750464e-14 -2.24304726912e-15 ] [ -3.84522388992e-14 -1.84250311392e-14 -3.68500622784e-15 ] [ -2.948004982272e-14 3.220375007808e-14 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -18.486326 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.961835932168718e-18 } }