{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.2462737 -10.3076783 -1.7727343 ] [ -11.7659854 5.4586655 -6.6230778 ] [ -1.9135787 -2.6129324 10.782644 ] [ -1.2250564 7.8033113 2.0673434 ] [ 7.4253673 -1.739492 -0.4565372 ] [ 1.7308255 2.2476066 -5.6547456 ] [ -0.497846 -0.8494807 1.6571075 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.000763368925791e-08 -1.651472118698749e-08 -2.840233450350253e-09 ] [ -1.885118672855414e-08 8.745746244867543e-09 -1.06113404088995e-08 ] [ -3.065891055200857e-09 -4.186379203010834e-09 1.72757001272094e-08 ] [ -1.962756723241413e-09 1.250228292968446e-08 3.312249262645183e-09 ] [ 1.189674988891282e-08 -2.786973414468634e-09 -7.314532283654938e-10 ] [ 2.77308815078447e-09 3.601062747275778e-09 -9.059901196891668e-09 ] [ -7.976372219587969e-10 -1.361018117360818e-09 2.654978894652336e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.117218 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.781174676793694e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.5425837 0.6756974 2.5971607 ] [ 1.210073 3.5270477 2.1384842 ] [ 1.9707478 2.0037833 3.8252707 ] [ 2.7791648 5.3673832 3.1117025 ] [ 4.8895106 2.6413268 2.3425842 ] [ 3.4718485 4.0210615 0.9895193 ] [ 3.7917946 3.5579951 4.3271151 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.5425837e-10 6.756974e-11 2.5971607e-10 ] [ 1.210073e-10 3.5270477e-10 2.1384842e-10 ] [ 1.9707478e-10 2.0037833e-10 3.8252707e-10 ] [ 2.7791648e-10 5.3673832e-10 3.1117025e-10 ] [ 4.8895106e-10 2.6413268e-10 2.3425842e-10 ] [ 3.4718485e-10 4.0210615e-10 9.895193000000001e-11 ] [ 3.7917946e-10 3.5579951e-10 4.327115100000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.03e-05 -1e-06 -2.08e-05 ] [ 5.23e-05 -1.63e-05 -3.08e-05 ] [ -1.67e-05 1.23e-05 4.15e-05 ] [ 1.4e-06 -4.37e-05 8e-07 ] [ 7.6e-06 3.2e-05 -1.31e-05 ] [ -1.88e-05 2.7e-06 4.7e-06 ] [ 4.6e-06 1.41e-05 1.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.854595161024e-14 -1.6021766208e-15 -3.332527371264e-14 ] [ 8.379383726784e-14 -2.611547891904e-14 -4.934703992064001e-14 ] [ -2.675634956736e-14 1.970677243584e-14 6.64903297632e-14 ] [ 2.24304726912e-15 -7.001511832895999e-14 1.28174129664e-15 ] [ 1.217654231808e-14 5.12696518656e-14 -2.098851373248e-14 ] [ -3.012092047104e-14 4.32587687616e-15 7.53023011776e-15 ] [ 7.370012455680001e-15 2.259069035328e-14 2.835852618816e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }