{ "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" [ [ 0.5308739 0.2525778 2.81745 ] [ 0.4737551 1.568741 0.832487 ] [ 2.312512 2.941662 0.559243 ] [ 2.76942 1.516894 1.016982 ] [ 2.535548 1.814472 2.698768 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.308739e-11 2.525778e-11 2.81745e-10 ] [ 4.737551e-11 1.568741e-10 8.32487e-11 ] [ 2.312512e-10 2.941662e-10 5.592430000000001e-11 ] [ 2.76942e-10 1.516894e-10 1.016982e-10 ] [ 2.535548e-10 1.814472e-10 2.698768e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0698779 2.0869534 -1.7059155 ] [ -2.9756189 -1.6514084 0.9191866 ] [ -2.602244 10.6861118 -5.3217606 ] [ 6.7694302 -11.6529739 -12.1794266 ] [ -2.2614451 0.5313171 18.2879161 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.714133372612989e-09 3.343667973726855e-09 -2.733177953678426e-09 ] [ -4.767467073268782e-09 -2.645847951671326e-09 1.472699292805904e-09 ] [ -4.169254532766695e-09 1.712103863427168e-08 -8.52640048506182e-09 ] [ 1.084582289193395e-08 -1.867012249919185e-08 -1.951359271403806e-08 ] [ -3.623234498293793e-09 8.512638428646413e-10 2.93004718599724e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 0.7394680536311498 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.184758437117287e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5436815 0.8528477 2.7625641 ] [ 0.6028217 1.274241 0.4710342 ] [ 1.9053217 3.125008 1.0813968 ] [ 2.9181818 1.0045688 0.7175942 ] [ 2.6521024 1.8376813 2.8923407 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.436815000000001e-11 8.528477e-11 2.7625641e-10 ] [ 6.028217000000001e-11 1.274241e-10 4.710342e-11 ] [ 1.9053217e-10 3.125008e-10 1.0813968e-10 ] [ 2.9181818e-10 1.0045688e-10 7.175942e-11 ] [ 2.6521024e-10 1.8376813e-10 2.8923407e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.5e-06 -2.6e-06 -1.05e-05 ] [ -2.9e-06 -2.81e-05 -1.47e-05 ] [ 1.81e-05 2.27e-05 2.64e-05 ] [ -2.73e-05 -1.08e-05 2.4e-06 ] [ 7.6e-06 1.88e-05 -3.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.209794853e-15 -4.165659248399999e-15 -1.6822854657e-14 ] [ -4.6463122386e-15 -4.50211634154e-14 -2.35519965198e-14 ] [ 2.899939707539999e-14 3.636940959179999e-14 4.22974631376e-14 ] [ -4.37394221082e-14 -1.73035076472e-14 3.845223921599999e-15 ] [ 1.21765424184e-14 3.012092071919999e-14 -5.9280535458e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.68810404636885 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.872640719885302e-18 } }