{ "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" [ [ 6.4252875 -4.8391556 -0.0793264 ] [ -6.1050727 8.0733468 -6.1042908 ] [ 3.4593437 0.0991011 6.9870298 ] [ -0.941091 -0.2184849 1.4311384 ] [ -0.0342764 -1.1382319 -0.8002834 ] [ 0.1932585 -0.95741 1.17813 ] [ -2.9974496 -1.0191655 -2.6123975 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.029444541441848e-08 -7.753181966733397e-09 -1.270949034922291e-10 ] [ -9.781404748224332e-09 1.293492749457049e-08 -9.78015200632453e-09 ] [ 5.542479599451769e-09 1.587774655155629e-10 1.11944557943929e-08 ] [ -1.507793998245293e-09 -3.500513987778259e-10 2.292936485609119e-09 ] [ -5.491684672518912e-11 -1.823648539228764e-09 -1.282195353494335e-09 ] [ 3.096342504708768e-10 -1.533939918520128e-09 1.887572342263104e-09 ] [ -4.802443671146312e-09 -1.632883136825942e-09 -4.185522198736368e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.902969 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.868371837470716e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1625051 1.5066664 2.1527413 ] [ 1.4762775 3.3616323 1.8267821 ] [ 1.9663139 2.3830633 4.0834956 ] [ 2.7818831 4.6775864 3.4048867 ] [ 4.72745 3.4005169 2.5313971 ] [ 3.4576453 3.2403358 0.4556227 ] [ 4.0836481 3.2244939 4.8769111 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1625051e-10 1.5066664e-10 2.1527413e-10 ] [ 1.4762775e-10 3.3616323e-10 1.8267821e-10 ] [ 1.9663139e-10 2.3830633e-10 4.0834956e-10 ] [ 2.7818831e-10 4.6775864e-10 3.4048867e-10 ] [ 4.72745e-10 3.4005169e-10 2.5313971e-10 ] [ 3.4576453e-10 3.2403358e-10 4.556227e-11 ] [ 4.083648099999999e-10 3.2244939e-10 4.8769111e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.1e-06 -1.59e-05 7e-06 ] [ -8e-06 1.22e-05 1.05e-05 ] [ -4.8e-06 -2.41e-05 2e-07 ] [ 1.08e-05 2.26e-05 -1.11e-05 ] [ 4.1e-06 1.61e-05 3.1e-06 ] [ 3.8e-06 -4.5e-06 -1.2e-06 ] [ -7e-06 -6.5e-06 -8.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.76239428288e-15 -2.547460827072e-14 1.12152363456e-14 ] [ -1.28174129664e-14 1.954655477376e-14 1.68228545184e-14 ] [ -7.69044777984e-15 -3.861245656128e-14 3.2043532416e-16 ] [ 1.730350750464e-14 3.620919163008e-14 -1.778416049088e-14 ] [ 6.568924145279999e-15 2.579504359488e-14 4.96674752448e-15 ] [ 6.08827115904e-15 -7.2097947936e-15 -1.92261194496e-15 ] [ -1.12152363456e-14 -1.04141480352e-14 -1.36185012768e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.501501 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.444920221430782e-18 } }