{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.6564231 1.0885912 -0.014218 ] [ -0.2870829 -1.0828721 -0.3503469 ] [ -2.940705 0.263345 0.3401736 ] [ 7.7003271 -14.3878875 -5.9544438 ] [ 0.0757439 -4.2512 8.9437963 ] [ -3.3081754 19.3661131 -0.7256716 ] [ -1.8965307 -0.9960897 -2.2392896 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.051705752837845e-09 1.744115384618021e-09 -2.2779747382212e-11 ] [ -4.599575144009585e-10 -1.734952376230511e-09 -5.613176169743345e-10 ] [ -4.711528838486969e-09 4.2192520568073e-10 5.450181934236623e-10 ] [ 1.233728415377698e-08 -2.305193716512068e-08 -9.540070724826168e-09 ] [ 1.213551067480326e-10 -6.8111733064608e-09 1.432954145111566e-08 ] [ -5.300281327053603e-09 3.10279339002213e-08 -1.162654081477394e-09 ] [ -3.038577173203664e-09 -1.59591164270807e-09 -3.587737473879207e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.687771 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.231716706374281e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9305231 1.6171086 0.6075942 ] [ 2.8887754 0.8418846 2.7858214 ] [ 2.2123681 3.0389116 3.1203109 ] [ 5.1156128 2.2353714 2.1838922 ] [ 4.2550982 2.6886292 4.4869493 ] [ 4.3208246 4.2986193 2.736028 ] [ 3.2344278 3.6123822 0.8243638 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9305231e-10 1.6171086e-10 6.075942e-11 ] [ 2.8887754e-10 8.418846e-11 2.7858214e-10 ] [ 2.2123681e-10 3.0389116e-10 3.120310900000001e-10 ] [ 5.115612800000001e-10 2.2353714e-10 2.1838922e-10 ] [ 4.2550982e-10 2.6886292e-10 4.4869493e-10 ] [ 4.3208246e-10 4.298619300000001e-10 2.736028e-10 ] [ 3.234427800000001e-10 3.6123822e-10 8.243638e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.4852709 0.7758196 0.0217251 ] [ -0.3124904 -0.6703439 -0.2941566 ] [ -0.8981281 0.1670332 0.4626579 ] [ 1.7650827 -2.6245056 -0.5839362 ] [ 0.3086814 -1.1673115 2.0843183 ] [ -0.2720324 4.2244427 -0.3676007 ] [ -1.0763841 -0.7051344 -1.3230077 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.774896971401505e-10 1.243000035319226e-09 3.48074475913134e-11 ] [ -5.006648172293135e-10 -1.074009333324432e-09 -4.712908312568843e-10 ] [ -1.438959856158815e-09 2.676166901422488e-10 7.412596769155085e-10 ] [ 2.827974259017631e-09 -4.20492154812215e-09 -9.355689353867508e-10 ] [ 4.945621264304075e-10 -1.870239209899491e-09 3.339446078078602e-09 ] [ -4.358439549709416e-10 6.768303385611871e-09 -5.889612521820438e-10 ] [ -1.724557454229119e-09 -1.12974985950961e-09 -2.119692023542082e-09 ] ] } "relaxed-potential-energy" { "source-value" -12.597263 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.018304043095274e-18 } }