{ "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" [ [ 2.376748 2.356906 1.723048 ] [ 1.891208 1.427855 3.861744 ] [ 2.621896 4.609245 2.418974 ] [ 4.560356 2.199202 1.122098 ] [ 4.097908 2.987714 3.135416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.376748e-10 2.356906e-10 1.723048e-10 ] [ 1.891208e-10 1.427855e-10 3.861744e-10 ] [ 2.621896e-10 4.609245e-10 2.418974e-10 ] [ 4.560356e-10 2.199202e-10 1.122098e-10 ] [ 4.097908e-10 2.987714e-10 3.135416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1724923 -0.0816795 0.1645872 ] [ 0.9686577 0.6664006 -0.6265918 ] [ -0.1153954 0.0363865 -0.1543682 ] [ 0.8038301 -0.4511407 -1.0885678 ] [ -0.4846002 -0.1699669 1.7049405 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.878539766604918e-09 -1.30864986376803e-10 2.636977660954848e-10 ] [ 1.551960733284181e-09 1.06769147020358e-09 -1.003910741016001e-09 ] [ -1.848838135510836e-10 5.8297600093041e-11 -2.473251230726388e-10 ] [ 1.287877803925883e-09 -7.228070881864038e-10 -1.744077893684785e-09 ] [ -7.764151172717267e-10 -2.723169957334146e-10 2.731615831460276e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.049865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.930601214585441e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0091589 2.0469374 1.2967121 ] [ 2.0724828 2.1051293 3.6952928 ] [ 2.7549529 4.0185509 2.430032 ] [ 4.3240945 2.6760679 1.220329 ] [ 4.3874269 2.7342364 3.6189141 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0091589e-10 2.0469374e-10 1.2967121e-10 ] [ 2.0724828e-10 2.1051293e-10 3.6952928e-10 ] [ 2.7549529e-10 4.0185509e-10 2.430032e-10 ] [ 4.3240945e-10 2.6760679e-10 1.220329e-10 ] [ 4.387426900000001e-10 2.7342364e-10 3.6189141e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.52e-05 6.8e-06 -1.52e-05 ] [ -2.89e-05 -1.88e-05 2.62e-05 ] [ 7.7e-06 -1.42e-05 -6e-06 ] [ 3.55e-05 5.5e-06 -2.4e-06 ] [ 2.1e-05 2.07e-05 -2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.63966175168e-14 1.08948011112e-14 -2.43530848368e-14 ] [ -4.63029047226e-14 -3.012092071919999e-14 4.197702781079999e-14 ] [ 1.23367600818e-14 -2.27509082028e-14 -9.613059803999999e-15 ] [ 5.6877270507e-14 8.811971486999999e-15 -3.845223921599999e-15 ] [ 3.364570931399999e-14 3.316505632379999e-14 -4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.13731965152234e-18 } }