{ "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" [ [ 2.476712 2.310837 1.57832 ] [ 2.970546 4.476183 1.171414 ] [ 2.629523 3.538885 3.808943 ] [ 5.406765 3.077785 1.539132 ] [ 4.254834 1.46676 3.134429 ] [ 4.456572 4.8029 2.877728 ] [ 4.871099 3.222036 4.56833 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.476712e-10 2.310837e-10 1.57832e-10 ] [ 2.970546e-10 4.476183e-10 1.171414e-10 ] [ 2.629523e-10 3.538885e-10 3.808943e-10 ] [ 5.406765000000001e-10 3.077785e-10 1.539132e-10 ] [ 4.254834e-10 1.46676e-10 3.134429e-10 ] [ 4.456572000000001e-10 4.8029e-10 2.877728e-10 ] [ 4.871099000000001e-10 3.222036e-10 4.56833e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7242985 -0.4685905 0.9201273 ] [ -0.0280347 0.2640743 -1.0417928 ] [ -2.1451254 -0.3235244 0.4669754 ] [ -1.140705 -0.5549673 0.7395343 ] [ 0.3596352 0.317601 -1.4498954 ] [ 1.3382379 1.3949889 -0.5213665 ] [ 0.8916934 -0.6295819 0.8864176 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.160454123180509e-09 -7.507647438289825e-10 1.474206448219828e-09 ] [ -4.491654091114176e-11 4.230936696141254e-10 -1.66913606787777e-09 ] [ -3.436869764564248e-09 -5.183432299383475e-10 7.481770683687283e-10 ] [ -1.827610882229664e-09 -8.891556333684999e-10 1.184864565739694e-09 ] [ 5.761991094567322e-10 5.088528969427009e-10 -2.322988512485465e-09 ] [ 2.144093476448488e-09 2.235018601855509e-09 -8.353212171683232e-10 ] [ 1.428650318401663e-09 -1.008701401058844e-09 1.420197554985646e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.246504 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.122323901613369e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3777128 2.3630388 2.1641342 ] [ 3.2830069 4.0704278 0.948798 ] [ 2.43971 3.7888692 3.9459706 ] [ 5.4563293 3.2338149 1.4816863 ] [ 4.4683623 1.558282 2.6767846 ] [ 4.4279089 4.9286956 2.9820098 ] [ 4.6130209 2.9522577 4.4789125 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3777128e-10 2.3630388e-10 2.1641342e-10 ] [ 3.2830069e-10 4.0704278e-10 9.48798e-11 ] [ 2.43971e-10 3.788869200000001e-10 3.9459706e-10 ] [ 5.4563293e-10 3.2338149e-10 1.4816863e-10 ] [ 4.4683623e-10 1.558282e-10 2.6767846e-10 ] [ 4.427908900000001e-10 4.928695600000001e-10 2.9820098e-10 ] [ 4.613020900000001e-10 2.9522577e-10 4.4789125e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.3e-06 1.85e-05 9.8e-06 ] [ -2.19e-05 -1.9e-06 -5.01e-05 ] [ -2.16e-05 -4.7e-06 2.89e-05 ] [ 4.27e-05 -1.07e-05 -1.9e-05 ] [ -3.9e-06 -2.85e-05 1.8e-06 ] [ -4.9e-06 2.61e-05 2.85e-05 ] [ 3.2e-06 1.2e-06 1e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.009371271104e-14 2.96402674848e-14 1.570133088384e-14 ] [ -3.508766799552e-14 -3.04413557952e-15 -8.026904870208e-14 ] [ -3.460701500928e-14 -7.53023011776e-15 4.630290434112001e-14 ] [ 6.841294170816001e-14 -1.714328984256e-14 -3.04413557952e-14 ] [ -6.24848882112e-15 -4.56620336928e-14 2.88391791744e-15 ] [ -7.850665441919999e-15 4.181680980288e-14 4.56620336928e-14 ] [ 5.126965186560001e-15 1.92261194496e-15 1.6021766208e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }