{ "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" [ [ 0.284773 1.136187 2.117179 ] [ 0.232979 2.36751 0.607179 ] [ 0.4870779 2.766051 2.845032 ] [ 1.778488 1.070505 1.035652 ] [ 2.177899 0.7799475 2.527686 ] [ 2.528264 2.860392 0.629956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.84773e-11 1.136187e-10 2.117179e-10 ] [ 2.32979e-11 2.36751e-10 6.07179e-11 ] [ 4.870779e-11 2.766051e-10 2.845032e-10 ] [ 1.778488e-10 1.070505e-10 1.035652e-10 ] [ 2.177899e-10 7.799475000000001e-11 2.527686e-10 ] [ 2.528264e-10 2.860392e-10 6.29956e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.5820519 -21.8215297 12.3257997 ] [ -18.1339086 9.8916553 -24.4671476 ] [ 1.5419725 19.4899549 19.8803241 ] [ 9.9216698 -4.9162171 -43.9549803 ] [ 20.4403419 -11.9474652 39.30926 ] [ 12.8119762 9.3036019 -3.093256 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.258914208707222e-08 -3.496194471543283e-08 1.974810811200365e-08 ] [ -2.905372440264406e-08 1.584817886267241e-08 -3.920069186238283e-08 ] [ 2.470512289416528e-09 3.122635008122641e-08 3.18517904869468e-08 ] [ 1.589626739285741e-08 -7.876648100397176e-09 -7.042364180438458e-08 ] [ 3.274903791333865e-08 -1.91419494212616e-08 6.298037735294861e-08 ] [ 2.052704873388603e-08 1.490601345341046e-08 -4.955942445349325e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 20.19128 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.234999676002663e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0476425 2.0547544 1.9151175 ] [ -0.4110656 1.6586799 -0.2002118 ] [ 0.5685802 2.666604 3.9635946 ] [ 2.4040102 1.4845968 1.3048432 ] [ 2.2364734 -0.0530853 2.8698896 ] [ 2.6438403 3.1690426 -0.090549 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.76425e-12 2.0547544e-10 1.9151175e-10 ] [ -4.110656e-11 1.6586799e-10 -2.002118e-11 ] [ 5.685802e-11 2.666604e-10 3.9635946e-10 ] [ 2.4040102e-10 1.4845968e-10 1.3048432e-10 ] [ 2.2364734e-10 -5.30853e-12 2.8698896e-10 ] [ 2.6438403e-10 3.1690426e-10 -9.0549e-12 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0009414 0.002001 0.0027766 ] [ -0.0005415 -0.0009268 -0.0014944 ] [ -0.0005413 -0.0010401 -0.0012455 ] [ 0.0008638 0.0032635 -0.0013353 ] [ -0.0003436 -0.0016717 0.0007868 ] [ -0.0003789 -0.001626 0.0005119 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.50828907082112e-12 3.2059554182208e-12 4.44860360531328e-12 ] [ -8.675786401632e-13 -1.48489729215744e-12 -2.39429274212352e-12 ] [ -8.672582048390401e-13 -1.66642390329408e-12 -1.9955109812064e-12 ] [ 1.38396016504704e-12 5.2287034019808e-12 -2.13938644175424e-12 ] [ -5.5050788690688e-13 -2.67835865699136e-12 1.26059256524544e-12 ] [ -6.0706472162112e-13 -2.6051391854208e-12 8.2015421218752e-13 ] ] } "relaxed-potential-energy" { "source-value" -11.304563 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.811190654696071e-18 } }