{ "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" [ [ 0.7988983 0.4673865 0.2218489 ] [ 0.3258309 0.1815657 2.151485 ] [ 0.290514 2.993692 1.621534 ] [ 2.152844 0.6900228 1.637351 ] [ 2.682916 2.279137 0.4360972 ] [ 1.831466 2.039249 2.911237 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.988983e-11 4.673865e-11 2.218489e-11 ] [ 3.258309e-11 1.815657e-11 2.151485e-10 ] [ 2.90514e-11 2.993692e-10 1.621534e-10 ] [ 2.152844e-10 6.900228e-11 1.637351e-10 ] [ 2.682916e-10 2.279137e-10 4.360972e-11 ] [ 1.831466e-10 2.039249e-10 2.911237e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.7527974 0.6439612 -15.8341356 ] [ -12.6916158 -3.5097813 10.6453769 ] [ 0.6243426 -0.012126 -2.9070698 ] [ 20.4941078 -14.6227298 -1.9068763 ] [ -1.3263285 6.2333345 -3.1759124 ] [ -1.3477088 11.2673413 13.1786173 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.216997498479027e-09 1.031739579342313e-09 -2.536908186889698e-08 ] [ -2.033421011493589e-08 -5.623289542981032e-09 1.705577398878438e-08 ] [ 1.000307117089486e-09 -1.94279937038208e-11 -4.657639268593732e-09 ] [ 3.283518038131492e-08 -2.342819581783546e-08 -3.055152626617607e-09 ] [ -2.125012514200733e-09 9.986902805526059e-09 -5.088372596988818e-09 ] [ -2.159267531006423e-09 1.805227080943428e-08 2.111447253253042e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.6885315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.071620879678435e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.7184242 0.6605513 -0.0074585 ] [ 0.1472723 0.389778 2.3459369 ] [ 0.4409906 2.7792227 1.4305683 ] [ 2.6386536 0.4909808 1.7006455 ] [ 2.4565239 2.3491864 0.1563713 ] [ 1.6806045 1.9813338 3.3534896 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.184242e-11 6.605513e-11 -7.4585e-13 ] [ 1.472723e-11 3.89778e-11 2.3459369e-10 ] [ 4.409906e-11 2.7792227e-10 1.4305683e-10 ] [ 2.6386536e-10 4.909808e-11 1.7006455e-10 ] [ 2.4565239e-10 2.3491864e-10 1.563713e-11 ] [ 1.6806045e-10 1.9813338e-10 3.3534896e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-06 5.8e-06 1.33e-05 ] [ 6.9e-06 1.4e-06 -8.8e-06 ] [ 5.5e-06 0.0 2.1e-06 ] [ -8.4e-06 1.11e-05 1.33e-05 ] [ -5.7e-06 -4.4e-06 -9.8e-06 ] [ -1.7e-06 -1.4e-05 -1e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.28718284864e-15 9.292624400640001e-15 2.130894905664e-14 ] [ 1.105501868352e-14 2.24304726912e-15 -1.409915426304e-14 ] [ 8.8119714144e-15 0.0 3.36457090368e-15 ] [ -1.345828361472e-14 1.778416049088e-14 2.130894905664e-14 ] [ -9.13240673856e-15 -7.04957713152e-15 -1.570133088384e-14 ] [ -2.72370025536e-15 -2.24304726912e-14 -1.6021766208e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.357775 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.781022129410672e-18 } }