{ "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" [ [ 2.872342 2.592209 3.748836 ] [ 1.410068 4.838391 2.869154 ] [ 2.889421 3.430048 1.520903 ] [ 4.604684 2.417867 2.466033 ] [ 4.898299 2.012755 4.844446 ] [ 5.379024 4.52793 1.309626 ] [ 5.720081 4.239448 3.464417 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872342e-10 2.592209e-10 3.748836e-10 ] [ 1.410068e-10 4.838391e-10 2.869154e-10 ] [ 2.889421e-10 3.430048e-10 1.520903e-10 ] [ 4.604684e-10 2.417867e-10 2.466033e-10 ] [ 4.898299e-10 2.012755e-10 4.844446e-10 ] [ 5.379024e-10 4.52793e-10 1.309626e-10 ] [ 5.720081000000001e-10 4.239448000000001e-10 3.464417e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.652663 0.4357173 2.030918 ] [ 0.5323466 -0.5437095 -0.0715987 ] [ -1.2971126 1.5473917 -1.1454194 ] [ 3.6710457 -1.7955679 -1.3693471 ] [ 0.2984618 0.7506321 -0.3643288 ] [ -0.8473474 -0.0991113 -1.2552364 ] [ 0.2952688 -0.2953524 2.1750124 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.25003464146119e-09 6.980960713380997e-10 3.253889338361894e-09 ] [ 8.529132766823693e-10 -8.711186494068576e-10 -1.14713763219673e-10 ] [ -2.078203482265102e-09 2.479194804959967e-09 -1.835164183690764e-09 ] [ 5.881663594428371e-09 -2.876816910438953e-09 -2.19393590938028e-09 ] [ 4.781885181618855e-10 1.202645201442008e-09 -5.83719085644119e-10 ] [ -1.357600193975666e-09 -1.58793807717095e-10 -2.011110413657157e-09 ] [ 4.73072768211671e-10 -4.7320671017717e-10 3.484754017230098e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.277057085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.005695410993118e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8184384 2.7834674 3.7344516 ] [ 2.8294086 4.9743975 2.8786526 ] [ 2.8114335 3.097442 1.4033433 ] [ 4.8466156 2.2950999 2.2676055 ] [ 4.8740753 2.0909948 4.5904031 ] [ 4.7281266 4.5172052 1.5054443 ] [ 4.8658211 4.3000413 3.8435145 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8184384e-10 2.7834674e-10 3.7344516e-10 ] [ 2.8294086e-10 4.9743975e-10 2.8786526e-10 ] [ 2.8114335e-10 3.097442e-10 1.4033433e-10 ] [ 4.8466156e-10 2.2950999e-10 2.2676055e-10 ] [ 4.8740753e-10 2.0909948e-10 4.5904031e-10 ] [ 4.728126600000001e-10 4.517205200000001e-10 1.5054443e-10 ] [ 4.8658211e-10 4.300041300000001e-10 3.8435145e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.2e-06 2.17e-05 -2.25e-05 ] [ 1.55e-05 1.7e-05 5e-05 ] [ -8.4e-06 -3.56e-05 -5.7e-06 ] [ 2.3e-05 -1.01e-05 -2.75e-05 ] [ -1.04e-05 -1.41e-05 1.22e-05 ] [ 3.9e-06 -1.55e-05 3.05e-05 ] [ -2.48e-05 3.66e-05 -3.7e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.92261194496e-15 3.476723267136e-14 -3.604897396800001e-14 ] [ 2.48337376224e-14 2.72370025536e-14 8.010883104e-14 ] [ -1.345828361472e-14 -5.703748770048e-14 -9.13240673856e-15 ] [ 3.68500622784e-14 -1.618198387008e-14 -4.4059857072e-14 ] [ -1.666263685632e-14 -2.259069035328e-14 1.954655477376e-14 ] [ 6.24848882112e-15 -2.48337376224e-14 4.88663869344e-14 ] [ -3.973398019584e-14 5.863966432128e-14 -5.92805349696e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }