{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.5966335 -4.4680112 0.3727546 ] [ -5.4118772 2.9094636 -10.9794375 ] [ -4.747718 -2.9981656 6.4580372 ] [ 5.1159223 0.3439313 -1.2592091 ] [ 1.2451599 -0.9478678 0.8773023 ] [ 0.6706345 -0.6266789 -0.3016141 ] [ 7.724512 5.7873285 4.8321666 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.364618788761639e-09 -7.158543145090301e-09 5.972187103360164e-10 ] [ -8.670783195917343e-09 4.661474597393522e-09 -1.759099821696337e-08 ] [ -7.60668284442121e-09 -4.80359086918259e-09 1.034691630334278e-08 ] [ 8.196611170419537e-09 5.510386925612442e-10 -2.017475397340169e-09 ] [ 1.994966097373777e-09 -1.518651641280985e-09 1.405593246014458e-09 ] [ 1.074474925854273e-09 -1.004050290600823e-09 -4.832390635049393e-10 ] [ 1.237603263545261e-08 9.272322495982267e-09 7.741984418115223e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.211197 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.63601412385709e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2910229 1.7235267 2.9101663 ] [ 1.8530454 4.0225157 2.4538826 ] [ 1.5698656 3.2323697 4.8087666 ] [ 4.5422653 1.7741498 2.6358377 ] [ 3.6734126 2.2142196 5.098952 ] [ 4.1812342 4.0017811 1.7298975 ] [ 3.4249269 4.7026235 4.1323473 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2910229e-10 1.7235267e-10 2.9101663e-10 ] [ 1.8530454e-10 4.0225157e-10 2.4538826e-10 ] [ 1.5698656e-10 3.2323697e-10 4.8087666e-10 ] [ 4.5422653e-10 1.7741498e-10 2.6358377e-10 ] [ 3.6734126e-10 2.2142196e-10 5.098952e-10 ] [ 4.1812342e-10 4.0017811e-10 1.7298975e-10 ] [ 3.4249269e-10 4.7026235e-10 4.1323473e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.9552011 -0.7837153 -0.0186155 ] [ -0.883193 0.3308168 -1.2279126 ] [ -0.2994068 -0.0633148 0.5678123 ] [ 1.0601728 0.3679803 -0.4552719 ] [ 0.0985771 -0.5127044 0.3582727 ] [ 0.2256577 -0.5176411 -0.0850714 ] [ 0.7533934 1.1785785 0.8607865 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.530400883191097e-09 -1.2556503413683e-09 -2.9825319130227e-11 ] [ -1.415031187912362e-09 5.300269470946512e-10 -1.967332876314188e-09 ] [ -4.797025790207111e-10 -1.014414931463832e-10 9.097355995577982e-10 ] [ 1.698584088162355e-09 5.895694384323101e-10 -7.294260002967845e-10 ] [ 1.579379262674814e-10 -8.214430098289895e-10 5.740161485400917e-10 ] [ 3.615434942221818e-10 -8.293524752180573e-10 -1.362994093016676e-10 ] [ 1.207069301689815e-09 1.888290934034769e-09 1.379132017162641e-09 ] ] } "relaxed-potential-energy" { "source-value" -13.845466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.218288211204144e-18 } }