{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2530641 -0.4114731 -0.8299235 ] [ -0.9322752 -0.8933339 0.6507936 ] [ 0.3110394 -0.462606 -0.0645501 ] [ -0.8241341 -0.5009331 -3.055531 ] [ 0.5701562 -2.306153 2.7793193 ] [ -0.6618359 3.4232844 -1.0746324 ] [ 1.7901137 1.1512148 1.5945241 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.054533879242394e-10 -6.592525863395453e-10 -1.329684039707499e-09 ] [ -1.493669541897676e-09 -1.431278700940092e-09 1.042686299476742e-09 ] [ 4.983400589333796e-10 -7.41176523948204e-10 -1.034206619423634e-10 ] [ -1.320408398302619e-09 -8.025833080171854e-10 -4.895500372662654e-09 ] [ 9.134909413702306e-10 -3.694864451029002e-09 4.452960440885236e-09 ] [ -1.06037801452236e-09 5.484706277216709e-09 -1.721750921419342e-09 ] [ 2.868078342343286e-09 1.844449453274983e-09 2.554709255369879e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.271481005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.767196330201237e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4478261 1.0869538 1.4857327 ] [ 2.2080825 2.6783112 4.0336022 ] [ 1.2443363 3.0356243 1.9066135 ] [ 4.2818983 2.4755794 1.5486029 ] [ 4.3277728 1.6597499 3.7423263 ] [ 3.2598007 4.3558669 2.5244707 ] [ 4.9357913 3.9070315 4.1667527 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4478261e-10 1.0869538e-10 1.4857327e-10 ] [ 2.2080825e-10 2.6783112e-10 4.0336022e-10 ] [ 1.2443363e-10 3.0356243e-10 1.9066135e-10 ] [ 4.2818983e-10 2.4755794e-10 1.5486029e-10 ] [ 4.3277728e-10 1.6597499e-10 3.7423263e-10 ] [ 3.2598007e-10 4.3558669e-10 2.5244707e-10 ] [ 4.9357913e-10 3.9070315e-10 4.1667527e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.01e-05 -1.3e-05 7e-06 ] [ -5.1e-05 -1.54e-05 6.53e-05 ] [ 3.47e-05 2.77e-05 -9.2e-06 ] [ 3.46e-05 3e-06 -1.48e-05 ] [ 1.96e-05 -2.46e-05 -1.35e-05 ] [ -5.73e-05 2.59e-05 -5.63e-05 ] [ 2.96e-05 -3.6e-06 2.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.61819840034e-14 -2.082829624199999e-14 1.1215236438e-14 ] [ -8.171100833399999e-14 -2.46735201636e-14 1.046221342002e-13 ] [ 5.55955291998e-14 4.438029276179999e-14 -1.47400250328e-14 ] [ 5.54353115364e-14 4.806529901999999e-15 -2.37122141832e-14 ] [ 3.140266202639999e-14 -3.94135451964e-14 -2.162938455899999e-14 ] [ -9.180472112819998e-14 4.149637482059999e-14 -9.02025444942e-14 ] [ 4.74244283664e-14 -5.767835882399999e-15 3.4446797631e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.021797005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.207845533332872e-18 } }