{ "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" [ [ 1.198213 1.350624 3.055818 ] [ 2.6169 3.019665 1.923407 ] [ 3.04509 0.4771157 2.258597 ] [ 0.8976629 3.617369 3.27072 ] [ 3.817629 1.77083 3.542328 ] [ 3.146341 4.405242 3.880584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.198213e-10 1.350624e-10 3.055818e-10 ] [ 2.6169e-10 3.019665e-10 1.923407e-10 ] [ 3.04509e-10 4.771157e-11 2.258597e-10 ] [ 8.976629000000001e-11 3.617369e-10 3.27072e-10 ] [ 3.817629e-10 1.77083e-10 3.542328e-10 ] [ 3.146341e-10 4.405242e-10 3.880584e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8393108 -3.2908307 1.9537814 ] [ 2.3709584 3.6787446 -6.7580616 ] [ 1.3126803 -6.4989877 -3.391096 ] [ -4.5250332 2.5999999 1.8858806 ] [ 2.8691517 4.577176 4.6723887 ] [ 2.8115537 -1.0661023 1.6371068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.753430624544945e-09 -5.272492010550898e-09 3.130302881233894e-09 ] [ 3.798694117369375e-09 5.893998592014247e-09 -1.082760829744624e-08 ] [ 2.10314568724473e-09 -1.041252615180676e-08 -5.433134730088397e-09 ] [ -7.249902401383811e-09 4.165659053862338e-09 3.021513806940276e-09 ] [ 4.596887775268576e-09 7.33344437648686e-09 7.485991938430106e-09 ] [ 4.504605606263737e-09 -1.708084180441108e-09 2.622934240712701e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.979339 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.560172336163765e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.2768171 1.3714966 3.3144849 ] [ 2.648535 2.8852874 1.743461 ] [ 3.1497362 0.3862301 1.8538771 ] [ 0.7770421 3.8055787 3.2941903 ] [ 3.6925895 1.8807404 3.874691 ] [ 3.1771159 4.3115125 3.8507497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.2768171e-10 1.3714966e-10 3.3144849e-10 ] [ 2.648535e-10 2.8852874e-10 1.743461e-10 ] [ 3.1497362e-10 3.862301e-11 1.8538771e-10 ] [ 7.770421e-11 3.8055787e-10 3.2941903e-10 ] [ 3.6925895e-10 1.8807404e-10 3.874691e-10 ] [ 3.1771159e-10 4.3115125e-10 3.8507497e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-06 4.3e-06 -1.17e-05 ] [ 1.46e-05 -2.05e-05 1.45e-05 ] [ -5.5e-06 -3.9e-06 4.9e-06 ] [ 6.3e-06 3.2e-06 1.14e-05 ] [ -6.8e-06 1.84e-05 -2.4e-05 ] [ -1.19e-05 -1.5e-06 5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.28718284864e-15 6.889359469440001e-15 -1.874546646336e-14 ] [ 2.339177866368e-14 -3.28446207264e-14 2.32315610016e-14 ] [ -8.8119714144e-15 -6.24848882112e-15 7.850665441919999e-15 ] [ 1.009371271104e-14 5.126965186560001e-15 1.826481347712e-14 ] [ -1.089480102144e-14 2.948004982272e-14 -3.84522388992e-14 ] [ -1.906590178752e-14 -2.4032649312e-15 8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -19.822631 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.175935595094533e-18 } }