{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6618616 0.5532969 2.6678 ] [ 1.355444 2.726321 1.335983 ] [ 0.8455628 2.30582 2.977156 ] [ 2.930365 0.9373095 0.4139469 ] [ 2.829062 1.427351 2.413715 ] [ 2.781652 2.87748 1.992398 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.618616000000001e-11 5.532969e-11 2.6678e-10 ] [ 1.355444e-10 2.726321e-10 1.335983e-10 ] [ 8.455628e-11 2.30582e-10 2.977156e-10 ] [ 2.930365e-10 9.373095e-11 4.139469e-11 ] [ 2.829062e-10 1.427351e-10 2.413715e-10 ] [ 2.781652e-10 2.87748e-10 1.992398e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.5084672 -13.6680106 3.353946 ] [ -16.7581307 18.9749603 -16.7398226 ] [ -26.6657702 4.9019876 17.4361682 ] [ 5.7929526 -18.7573392 -18.5804357 ] [ 30.6305985 -16.1123246 10.2454856 ] [ 18.5088171 24.6607265 4.2846585 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.843859708908364e-08 -2.189856703616658e-08 5.373613868625677e-09 ] [ -2.684948521585074e-08 3.040123777326815e-08 -2.682015240605947e-08 ] [ -4.272327359006534e-08 7.853849928171502e-09 2.793582104637642e-08 ] [ 9.281333221122572e-09 -3.005257033465538e-08 -2.976913968281768e-08 ] [ 4.907562879781155e-08 -2.581478978086071e-08 1.641507749706306e-08 ] [ 2.965439403628326e-08 3.951083945024301e-08 6.864779676811996e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.0967807 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.165942878884659e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.2874329 0.3940712 2.6075724 ] [ 0.9802528 2.1612154 0.9504299 ] [ 1.1084604 2.694184 3.4128621 ] [ 3.2599582 1.3476886 0.2503917 ] [ 2.7497569 0.9236165 2.6811892 ] [ 3.0180861 3.3068027 1.8985537 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.874329e-11 3.940712e-11 2.6075724e-10 ] [ 9.802528000000001e-11 2.1612154e-10 9.504299000000001e-11 ] [ 1.1084604e-10 2.694184e-10 3.4128621e-10 ] [ 3.2599582e-10 1.3476886e-10 2.503917e-11 ] [ 2.7497569e-10 9.236165e-11 2.6811892e-10 ] [ 3.0180861e-10 3.3068027e-10 1.8985537e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.02e-05 -2.5e-06 5.2e-06 ] [ -4.9e-05 -4.4e-06 -0.0001663 ] [ 5.68e-05 -5.4e-05 1.74e-05 ] [ -7.1e-05 -1.05e-05 3.88e-05 ] [ 0.0001233 6.09e-05 4.33e-05 ] [ 2.01e-05 1.05e-05 6.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2849456498816e-13 -4.005441552e-15 8.33131842816e-15 ] [ -7.85066544192e-14 -7.04957713152e-15 -2.6644197203904e-13 ] [ 9.100363206143999e-14 -8.65175375232e-14 2.787787320192e-14 ] [ -1.137545400768e-13 -1.68228545184e-14 6.216445288704e-14 ] [ 1.9754837734464e-13 9.757255620672e-14 6.937424768064e-14 ] [ 3.220375007808e-14 1.68228545184e-14 9.869407984128002e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.324794 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.576826301097612e-18 } }