{ "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" [ [ 2.682391 2.686577 1.562325 ] [ 1.212844 1.781832 3.455784 ] [ 1.883235 4.08794 3.099932 ] [ 4.668223 1.307552 1.415877 ] [ 3.293332 1.297731 3.803317 ] [ 4.485506 3.146522 2.925064 ] [ 3.343094 3.696236 5.003524 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.682391e-10 2.686577e-10 1.562325e-10 ] [ 1.212844e-10 1.781832e-10 3.455784e-10 ] [ 1.883235e-10 4.08794e-10 3.099932e-10 ] [ 4.668223000000001e-10 1.307552e-10 1.415877e-10 ] [ 3.293332e-10 1.297731e-10 3.803317e-10 ] [ 4.485506e-10 3.146522e-10 2.925064e-10 ] [ 3.343094e-10 3.696236e-10 5.003524e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9412423 -1.5805761 -1.4747665 ] [ -1.3872733 1.0469373 -0.8440833 ] [ -0.0304445 1.3755006 1.3496747 ] [ -1.0638339 -0.1052218 1.4983705 ] [ 2.7225055 -1.0311223 0.3922216 ] [ 1.2807174 1.9113133 0.4928973 ] [ -0.580429 -1.616831 -1.4143143 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.50803640756802e-09 -2.532362074815243e-09 -2.362836407439043e-09 ] [ -2.222656847920065e-09 1.677378465503476e-09 -1.352370529267713e-09 ] [ -4.87774661319456e-11 2.203794903216373e-09 2.162417250025254e-09 ] [ -1.704449802994485e-09 -1.685839079584935e-10 2.400654184396406e-09 ] [ 4.361934662099414e-09 -1.652040042245524e-09 6.284082776927692e-10 ] [ 2.051935476131762e-09 3.062261484284097e-09 7.897085305154439e-10 ] [ -9.299497738343232e-10 -2.590448827984685e-09 -2.265981305923117e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.103483 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.662892004645025e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4297849 2.3324038 1.4947731 ] [ 1.287717 2.1065938 3.6304224 ] [ 2.1670911 4.2852377 2.9208424 ] [ 4.6110253 1.5217524 1.7091659 ] [ 3.4880093 1.0727394 3.7086986 ] [ 4.4763184 3.5212274 2.9111942 ] [ 3.108679 3.1644356 4.8907263 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4297849e-10 2.3324038e-10 1.4947731e-10 ] [ 1.287717e-10 2.1065938e-10 3.6304224e-10 ] [ 2.1670911e-10 4.2852377e-10 2.9208424e-10 ] [ 4.6110253e-10 1.5217524e-10 1.7091659e-10 ] [ 3.4880093e-10 1.0727394e-10 3.7086986e-10 ] [ 4.476318400000001e-10 3.5212274e-10 2.9111942e-10 ] [ 3.108679e-10 3.1644356e-10 4.8907263e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.81e-05 -6.47e-05 3.02e-05 ] [ -1.7e-05 3.72e-05 -7.9e-06 ] [ 1.99e-05 4.5e-06 1.42e-05 ] [ 1.28e-05 -2.22e-05 -4.29e-05 ] [ -5.6e-06 3.03e-05 -2.83e-05 ] [ -1.74e-05 3.75e-05 -1.32e-05 ] [ -2.08e-05 -2.27e-05 4.79e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.502116304448e-14 -1.0366082736576e-13 4.838573394816e-14 ] [ -2.72370025536e-14 5.960097029376001e-14 -1.265719530432e-14 ] [ 3.188331475392e-14 7.2097947936e-15 2.275090801536e-14 ] [ 2.050786074624e-14 -3.556832098176e-14 -6.873337703232e-14 ] [ -8.972189076479999e-15 4.854595161024e-14 -4.534159836864e-14 ] [ -2.787787320192e-14 6.008162327999999e-14 -2.114873139456e-14 ] [ -3.332527371264e-14 -3.636940929216e-14 7.674426013632e-14 ] ] } "relaxed-potential-energy" { "source-value" -32.25324 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.16753870730514e-18 } }