{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7742052 0.6824645 0.5764372 ] [ 0.6127639 2.971614 0.4436307 ] [ 0.405499 2.567939 2.589337 ] [ 2.552542 1.167694 2.901906 ] [ 2.397264 1.657583 0.5767519 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.742052e-11 6.824645e-11 5.764372e-11 ] [ 6.127639e-11 2.971614e-10 4.436307e-11 ] [ 4.05499e-11 2.567939e-10 2.589337e-10 ] [ 2.552542e-10 1.167694e-10 2.901906e-10 ] [ 2.397264e-10 1.657583e-10 5.767519e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -28.0958939 -24.2535822 -3.1877093 ] [ -5.1439222 10.7963395 -5.3843433 ] [ -2.9303004 1.3927831 8.9427987 ] [ 1.0843948 0.7333842 2.2364129 ] [ 35.0857217 11.3310754 -2.6071591 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.501458471792313e-08 -3.885852269163831e-08 -5.107273356444496e-09 ] [ -8.241471955953874e-09 1.729764287963124e-08 -8.626669024694452e-09 ] [ -4.694858831480853e-09 2.231484539050085e-09 1.432794311970558e-08 ] [ 1.737392010591103e-09 1.175011028984783e-09 3.583128492356178e-09 ] [ 5.621352349476675e-08 1.81543842439722e-08 -4.177129391140469e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -0.56580037 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.065121323225546e-20 } "relaxed-configuration-positions" { "source-value" [ [ 0.4296186 0.2909416 0.0614589 ] [ 0.6184261 2.928268 0.5172537 ] [ 0.450534 2.7394716 2.9663027 ] [ 2.5497438 1.4426191 2.9962188 ] [ 2.6939516 1.6459942 0.5468286 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.296186e-11 2.909416e-11 6.14589e-12 ] [ 6.184261e-11 2.928268e-10 5.172537000000001e-11 ] [ 4.50534e-11 2.7394716e-10 2.9663027e-10 ] [ 2.5497438e-10 1.4426191e-10 2.9962188e-10 ] [ 2.6939516e-10 1.6459942e-10 5.468286e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.72e-05 -7e-07 -1.5e-06 ] [ -1.76e-05 -2.7e-06 3.21e-05 ] [ 5.3e-06 2.34e-05 -4.03e-05 ] [ 9.8e-06 -2.27e-05 -1.21e-05 ] [ -1.46e-05 2.7e-06 2.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.75574381048e-14 -1.1215236438e-15 -2.403264951e-15 ] [ -2.81983087584e-14 -4.3258769118e-15 5.14298699514e-14 ] [ 8.4915361602e-15 3.749093323559999e-14 -6.456771835019998e-14 ] [ 1.57013310132e-14 -3.636940959179999e-14 -1.93863372714e-14 ] [ -2.33917788564e-14 4.3258769118e-15 3.50876682846e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.065358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933083466844497e-18 } }