{ "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" [ [ 0.1263174 0.4385011 2.440297 ] [ 1.443642 1.70162 0.7822092 ] [ 0.8295505 2.763862 2.693363 ] [ 2.917075 0.1010564 1.432133 ] [ 1.93191 1.054076 2.887848 ] [ 2.783401 2.698255 1.169851 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.263174e-11 4.385011e-11 2.440297e-10 ] [ 1.443642e-10 1.70162e-10 7.822092e-11 ] [ 8.295505e-11 2.763862e-10 2.693363e-10 ] [ 2.917075e-10 1.010564e-11 1.432133e-10 ] [ 1.93191e-10 1.054076e-10 2.887848e-10 ] [ 2.783401e-10 2.698255e-10 1.169851e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.925245 -11.4712826 3.0945595 ] [ -17.2137282 -4.684423 -28.8663881 ] [ -10.2994249 18.1906176 9.527651 ] [ 13.4753465 -14.7861627 -6.3338191 ] [ 10.0954392 -9.8788402 27.2146045 ] [ 22.8676123 22.6300909 -4.6366079 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.03215850819121e-08 -1.837902079230984e-08 4.958030882574537e-09 ] [ -2.757943287884566e-08 -7.5052730125378e-09 -4.624905214075934e-08 ] [ -1.650149778246538e-08 2.914458223663301e-08 1.526497968334174e-08 ] [ 2.158988511947911e-08 -2.3690044189285e-08 -1.01478968823965e-08 ] [ 1.617467666294786e-08 -1.58276468090592e-08 4.360260307421848e-08 ] [ 3.663795380057852e-08 3.625740256655883e-08 -7.428664777196584e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 14.851149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.37941637198173e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1577859 0.9393697 2.1669512 ] [ 1.1141719 0.9547538 0.1336973 ] [ 1.252467 2.9293299 3.0641225 ] [ 3.2852936 0.5023004 1.4884089 ] [ 2.0133287 0.4868962 3.5216551 ] [ 2.5244207 2.9447205 1.0308661 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.577859e-11 9.393697e-11 2.1669512e-10 ] [ 1.1141719e-10 9.547538e-11 1.336973e-11 ] [ 1.252467e-10 2.9293299e-10 3.0641225e-10 ] [ 3.2852936e-10 5.023004e-11 1.4884089e-10 ] [ 2.0133287e-10 4.868962e-11 3.5216551e-10 ] [ 2.5244207e-10 2.9447205e-10 1.0308661e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.84e-05 1.04e-05 2.7e-06 ] [ 3.08e-05 9.3e-06 2.14e-05 ] [ 2.4e-06 -3.63e-05 -3.4e-06 ] [ -4.33e-05 2.54e-05 -3.11e-05 ] [ -3.03e-05 4.49e-05 -1.02e-05 ] [ -1.8e-05 -5.36e-05 2.06e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.356711465472001e-14 1.666263685632e-14 4.32587687616e-15 ] [ 4.934703992064001e-14 1.490024257344e-14 3.428657968511999e-14 ] [ 3.84522388992e-15 -5.815901133504e-14 -5.44740051072e-15 ] [ -6.937424768064e-14 4.069528616832e-14 -4.982769290688e-14 ] [ -4.854595161024e-14 7.193773027392e-14 -1.634220153216e-14 ] [ -2.88391791744e-14 -8.587666687488e-14 3.300483838848e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.187542 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.273094809901807e-18 } }