{ "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" [ [ 0.9991242 0.9479007 1.187372 ] [ 1.085399 0.1016804 2.948528 ] [ 2.969901 0.5974891 1.991295 ] [ 2.924101 2.886024 0.3835606 ] [ 2.264584 2.996261 2.274235 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.991242000000001e-11 9.479007e-11 1.187372e-10 ] [ 1.085399e-10 1.016804e-11 2.948528e-10 ] [ 2.969901e-10 5.974891e-11 1.991295e-10 ] [ 2.924101e-10 2.886024e-10 3.835606e-11 ] [ 2.264584e-10 2.996261e-10 2.274235e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.300598 6.9562084 -12.7445163 ] [ -3.972457 -6.891036 12.7932852 ] [ 10.7249402 -0.4663857 0.0995765 ] [ 3.0360782 -0.9869887 -8.6695551 ] [ -3.4879633 1.388202 8.5212098 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.009467081265924e-08 1.114507446789258e-08 -2.041896605926452e-08 ] [ -6.364577732533306e-09 -1.104065677229115e-08 2.049710245066665e-08 ] [ 1.718324844791808e-08 -7.472322648154425e-10 1.595391402810912e-10 ] [ 4.864333510960546e-09 -1.581330220133785e-09 -1.389015849395741e-08 ] [ -5.588333253468417e-09 2.224144789347802e-09 1.365248312249184e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.745365 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.000736239362593e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6011427 1.5991461 1.272721 ] [ 1.2735933 -0.3585344 2.4860875 ] [ 3.2960129 0.9312635 2.4295029 ] [ 2.8728046 2.1018953 0.1810828 ] [ 2.1995557 3.2555847 2.4155965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.011427000000001e-11 1.5991461e-10 1.272721e-10 ] [ 1.2735933e-10 -3.585344e-11 2.4860875e-10 ] [ 3.2960129e-10 9.312635e-11 2.4295029e-10 ] [ 2.8728046e-10 2.1018953e-10 1.810828e-11 ] [ 2.1995557e-10 3.2555847e-10 2.4155965e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.2e-06 -1.6e-06 2.2e-06 ] [ -5e-07 -2.3e-06 2e-07 ] [ -6.4e-06 2.8e-06 -1.1e-06 ] [ -4e-07 1.2e-06 -6e-07 ] [ 2.1e-06 -0.0 -6e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.33131842816e-15 -2.56348259328e-15 3.52478856576e-15 ] [ -8.010883104e-16 -3.68500622784e-15 3.2043532416e-16 ] [ -1.025393037312e-14 4.48609453824e-15 -1.76239428288e-15 ] [ -6.408706483200001e-16 1.92261194496e-15 -9.6130597248e-16 ] [ 3.36457090368e-15 0.0 -9.6130597248e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363098921002e-18 } }