{ "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" [ [ -4.0494965 6.6834678 -10.6840152 ] [ -2.4766519 -5.4967984 10.3801485 ] [ 7.3633167 1.7109364 -0.3072746 ] [ 2.0209936 -2.5061433 -6.423654 ] [ -2.8581619 -0.3914624 7.0347953 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.488008671764781e-09 1.070809594325138e-08 -1.711767951074083e-08 ] [ -3.968033804731704e-09 -8.806841958288585e-09 1.663083138415015e-08 ] [ 1.179733396548199e-08 2.741222322340078e-09 -4.923081843416964e-10 ] [ 3.237988723383543e-09 -4.015284236715653e-09 -1.029182834370064e-08 ] [ -4.579280212369043e-09 -6.271919103695615e-10 1.127098465463302e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -9.0013793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.442179958823128e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.796936 1.5375476 1.3638597 ] [ 1.2147977 -0.475901 2.5661294 ] [ 3.0908536 0.9764004 2.3533947 ] [ 2.883966 2.1875074 0.2070668 ] [ 2.2565559 3.3038009 2.2945401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.96936e-11 1.5375476e-10 1.3638597e-10 ] [ 1.2147977e-10 -4.759010000000001e-11 2.5661294e-10 ] [ 3.0908536e-10 9.764004e-11 2.3533947e-10 ] [ 2.883966e-10 2.1875074e-10 2.070668e-11 ] [ 2.2565559e-10 3.3038009e-10 2.2945401e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.74e-05 -1.91e-05 5.5e-06 ] [ -1.44e-05 2.01e-05 -1.6e-06 ] [ -1.3e-06 1.14e-05 -1.24e-05 ] [ -5.1e-06 -2.5e-06 -3.4e-06 ] [ -6.5e-06 -9.9e-06 1.19e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.389963977159999e-14 -3.06015737094e-14 8.811971486999999e-15 ] [ -2.30713435296e-14 3.22037503434e-14 -2.5634826144e-15 ] [ -2.0828296242e-15 1.82648136276e-14 -1.98669902616e-14 ] [ -8.1711008334e-15 -4.005441585e-15 -5.4474005556e-15 ] [ -1.0414148121e-14 -1.58615486766e-14 1.90659019446e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.106817 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.260161257751397e-18 } }