{ "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" [ [ 0.2934362 2.840867 1.110891 ] [ 0.7634727 2.370483 2.358735 ] [ 2.954483 0.5132865 0.5514058 ] [ 1.977096 2.170821 0.0967804 ] [ 2.774594 2.595093 2.624283 ] [ 2.05175 1.547661 1.964386 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.934362e-11 2.840867e-10 1.110891e-10 ] [ 7.634727e-11 2.370483e-10 2.358735e-10 ] [ 2.954483e-10 5.132865e-11 5.514058e-11 ] [ 1.977096e-10 2.170821e-10 9.67804e-12 ] [ 2.774594e-10 2.595093e-10 2.624283e-10 ] [ 2.05175e-10 1.547661e-10 1.964386e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 21.1980966 -35.302161 129.8389855 ] [ -42.3895342 33.2304128 -129.912908 ] [ 19.054007 -27.7961894 -13.8549013 ] [ 5.6664321 9.3413599 -37.6549936 ] [ -42.6420472 -85.4685777 -41.2588097 ] [ 39.1130458 105.9951555 92.842627 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.396309477797997e-08 -5.656029701791755e-08 2.080249870364902e-07 ] [ -6.791552066184203e-08 5.324099048769307e-08 -2.081434239377413e-07 ] [ 3.052788454795955e-08 -4.453440480400878e-08 -2.219799894635153e-08 ] [ 9.078625033970648e-09 1.496650843825863e-08 -6.032995040229363e-08 ] [ -6.83200910868901e-08 -1.369357570039682e-07 -6.610390030337626e-08 ] [ 6.266600754903964e-08 1.698229600601606e-07 1.487502863930548e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 321.44666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.150143234862465e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4837161 2.601277 1.7350105 ] [ 0.4837161 2.601277 1.7350105 ] [ 3.0354702 0.3949226 0.4924437 ] [ 2.0011229 2.2105549 -0.0637152 ] [ 2.5375786 2.1580901 2.4042324 ] [ 2.273228 2.0720899 2.4034993 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.837161e-11 2.601277e-10 1.7350105e-10 ] [ 4.837161e-11 2.601277e-10 1.7350105e-10 ] [ 3.0354702e-10 3.949226e-11 4.924437e-11 ] [ 2.0011229e-10 2.2105549e-10 -6.37152e-12 ] [ 2.5375786e-10 2.1580901e-10 2.4042324e-10 ] [ 2.273228e-10 2.0720899e-10 2.4034993e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7719769955731575e+112 10.3219776 1.108790798229263e+113 ] [ 2.7719769955731575e+112 10.3219776 -1.108790798229263e+113 ] [ 15.6253609 -26.2458874 -10.9640754 ] [ 4.3016154 8.221484 -37.9361762 ] [ -27870058.905936 -9066868.9489178 -77271.8980474 ] [ 27870106.2761447 9066866.3293661 77318.9064324 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.441196735702738e+103 1.65376311911413e-08 1.776478694281095e+104 ] [ 4.441196735702738e+103 1.65376311911413e-08 -1.776478694281095e+104 ] [ 2.503458792554245e-08 -4.20505471844293e-08 -1.756638527456841e-08 ] [ 6.891947625553242e-09 1.317226945308127e-08 -6.078045459018938e-08 ] [ -0.04465275679940948 -0.01452672545381357 -0.0001238032284963855 ] [ 0.04465283269485038 0.01452672125682908 0.000123878544231814 ] ] } "relaxed-potential-energy" { "source-value" -4.3598096e+96 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.9851850122594e+77 } }