{ "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" [ [ 0.2100786 2.6915 2.714596 ] [ 1.703066 0.0721581 0.1101228 ] [ 2.026091 1.413329 2.796162 ] [ 1.827772 0.0799437 1.500255 ] [ 2.628484 2.60871 0.5510999 ] [ 1.843839 2.957574 1.991142 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.100786e-11 2.6915e-10 2.714596e-10 ] [ 1.703066e-10 7.215810000000001e-12 1.101228e-11 ] [ 2.026091e-10 1.413329e-10 2.796162e-10 ] [ 1.827772e-10 7.99437e-12 1.500255e-10 ] [ 2.628484e-10 2.60871e-10 5.510999e-11 ] [ 1.843839e-10 2.957574e-10 1.991142e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.3948591 -1.0707834 6.9636705 ] [ -6.5111208 0.185123 -80.7443395 ] [ 6.7747096 -9.4695344 24.8842655 ] [ 3.9741932 -27.8881208 66.5384276 ] [ 14.5189267 -4.4109401 -28.8595506 ] [ 0.6381504 42.6542557 11.2175264 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.107398981373013e-08 -1.715584129420735e-09 1.115703007005465e-08 ] [ -1.043196552096459e-08 2.965997425723584e-10 -1.29366693008838e-07 ] [ 1.085428133382932e-08 -1.517186662554136e-08 3.986898840988002e-08 ] [ 6.367359431582339e-09 -4.468169514380619e-08 1.066063130855135e-07 ] [ 2.32618849178489e-08 -7.067105103969215e-09 -4.623809725811461e-08 ] [ 1.022429651434168e-09 6.833965126016514e-08 1.797245854128679e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 24.27959 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.890019146060947e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0171128 2.765233 2.8520473 ] [ 2.1015168 0.3496649 -0.2461022 ] [ 1.8127155 1.293368 3.3241062 ] [ 1.7755174 -0.4587819 1.8514306 ] [ 2.3496832 2.6055333 -0.1514363 ] [ 2.1827849 3.2681975 2.0333321 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.71128e-12 2.765233e-10 2.8520473e-10 ] [ 2.1015168e-10 3.496649e-11 -2.461022e-11 ] [ 1.8127155e-10 1.293368e-10 3.3241062e-10 ] [ 1.7755174e-10 -4.587819e-11 1.8514306e-10 ] [ 2.3496832e-10 2.6055333e-10 -1.514363e-11 ] [ 2.1827849e-10 3.2681975e-10 2.0333321e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.1e-06 -1.19e-05 8.5e-06 ] [ -6e-06 -1.55e-05 1.48e-05 ] [ 9e-06 2.5e-05 -4.3e-06 ] [ -9.4e-06 -2.03e-05 -3.71e-05 ] [ 1.37e-05 -1.26e-05 1.54e-05 ] [ -1.04e-05 3.53e-05 2.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.96674752448e-15 -1.906590178752e-14 1.36185012768e-14 ] [ -9.6130597248e-15 -2.48337376224e-14 2.371221398784e-14 ] [ 1.44195895872e-14 4.005441552e-14 -6.889359469440001e-15 ] [ -1.506046023552e-14 -3.252418540224e-14 -5.944075263168e-14 ] [ 2.194981970496e-14 -2.018742542208e-14 2.467351996032e-14 ] [ -1.666263685632e-14 5.655683471424e-14 4.32587687616e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.638374 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.825979045172658e-18 } }