{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2681367 -5.6706633 -5.0938431 ] [ -9.0024 -0.6625953 4.8617546 ] [ -1.4972806 9.116707 -2.9667308 ] [ 6.4337559 1.1366145 -3.2978808 ] [ 2.253746 4.597921 5.802711 ] [ -2.1073024 -3.8570763 4.2981077 ] [ 6.1876178 -4.6609076 -3.6041185 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.633955593518463e-09 -9.085404163688576e-09 -8.161236324843396e-09 ] [ -1.442343481108992e-08 -1.061594698711962e-09 7.789389556186856e-09 ] [ -2.398907972097397e-09 1.460657481408371e-08 -4.753226727967281e-09 ] [ 1.030801328691406e-08 1.821057178762282e-09 -5.283787515945201e-09 ] [ 3.610899150421517e-09 7.366681530485358e-09 9.29696790145899e-09 ] [ -3.37627063823573e-09 -6.179717472501768e-09 6.88632767062046e-09 ] [ 9.91365657760593e-09 -7.467597188429037e-09 -5.774434399292764e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.74156 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.994639957320449e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.5476967 0.3524831 1.5402484 ] [ 1.7154902 1.816468 3.2393948 ] [ 2.9062223 3.6381422 2.3149146 ] [ 5.1269108 2.8742639 2.5906345 ] [ 4.878359 2.8730649 4.9699518 ] [ 3.4375686 0.9779415 4.735757 ] [ 4.6914363 0.4830011 2.5936089 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5476967e-10 3.524831e-11 1.5402484e-10 ] [ 1.7154902e-10 1.816468e-10 3.2393948e-10 ] [ 2.9062223e-10 3.6381422e-10 2.3149146e-10 ] [ 5.126910800000001e-10 2.8742639e-10 2.5906345e-10 ] [ 4.878359e-10 2.8730649e-10 4.9699518e-10 ] [ 3.4375686e-10 9.779415000000001e-11 4.735757000000001e-10 ] [ 4.6914363e-10 4.830011e-11 2.5936089e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.13e-05 -4.5e-06 -1.83e-05 ] [ -5.4e-06 -7.6e-06 2.1e-06 ] [ -1.78e-05 -1.99e-05 3.4e-06 ] [ 2.32e-05 -2.71e-05 3.31e-05 ] [ 1.16e-05 1.64e-05 5.5e-06 ] [ 1.83e-05 2.29e-05 -3.02e-05 ] [ -1.86e-05 1.97e-05 4.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.810459581504e-14 -7.2097947936e-15 -2.931983216064e-14 ] [ -8.65175375232e-15 -1.217654231808e-14 3.36457090368e-15 ] [ -2.851874385024e-14 -3.188331475392e-14 5.44740051072e-15 ] [ 3.717049760256e-14 -4.341898642368e-14 5.303204614848e-14 ] [ 1.858524880128e-14 2.627569658112e-14 8.8119714144e-15 ] [ 2.931983216064e-14 3.668984461632e-14 -4.838573394816e-14 ] [ -2.980048514688e-14 3.156287942976e-14 6.72914180736e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.906007 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.907552606248115e-18 } }