{ "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" [ [ -1.009467089582713e-08 1.114507455971453e-08 -2.041896622749213e-08 ] [ -6.364577784969738e-09 -1.104065686325282e-08 2.049710261953801e-08 ] [ 1.718324858948729e-08 -7.472322709717337e-10 1.59539141595501e-10 ] [ 4.864333551036778e-09 -1.581330233162036e-09 -1.389015860839553e-08 ] [ -5.588333299509531e-09 2.224144807672068e-09 1.365248323497181e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -3.745365 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.00073628880141e-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" [ [ 8.331318496799998e-15 -2.5634826144e-15 3.5247885948e-15 ] [ -8.010883169999999e-16 -3.685006258199999e-15 3.204353268e-16 ] [ -1.02539304576e-14 4.486094575199999e-15 -1.7623942974e-15 ] [ -6.408706536e-16 1.9226119608e-15 -9.613059803999998e-16 ] [ 3.364570931399999e-15 0.0 -9.613059803999998e-16 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363113111193e-18 } }