{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5948443 -16.2366578 -14.7813204 ] [ -18.7124025 13.1516921 6.2321229 ] [ -3.4094656 -7.5846485 13.3564671 ] [ 1.3970063 2.5704529 -10.4702876 ] [ 3.194411 1.9677476 4.7058634 ] [ 13.5640426 -6.6818596 -3.3870875 ] [ 4.5612526 12.8132732 4.3442421 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.530456304761414e-10 -2.601399352708996e-08 -2.368228596943411e-08 ] [ -2.998057380449947e-08 2.107133360658005e-08 9.984961608332297e-09 ] [ -5.462566073741844e-09 -1.215194650368579e-08 2.139941932410438e-08 ] [ 2.238250832970311e-09 4.11831954124756e-09 -1.677525000577214e-08 ] [ 5.118010621426349e-09 3.15267920035531e-09 7.539624320158399e-09 ] [ 2.173199193725525e-08 -1.070551923458804e-08 -5.42671240510392e-09 ] [ 7.307932277283215e-09 2.05291267569632e-08 6.960243127715096e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 18.148247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.907669705190374e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4483629 1.588664 1.3435521 ] [ 1.144215 3.0073194 3.7382026 ] [ 2.2456056 1.6701339 4.8050511 ] [ 3.0032174 3.5577539 0.8598787 ] [ 4.2983452 2.7662369 5.1806038 ] [ 4.8837453 1.7031967 3.3060959 ] [ 3.5859266 4.6121783 2.5986617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4483629e-10 1.588664e-10 1.3435521e-10 ] [ 1.144215e-10 3.0073194e-10 3.7382026e-10 ] [ 2.2456056e-10 1.6701339e-10 4.805051100000001e-10 ] [ 3.0032174e-10 3.5577539e-10 8.598787e-11 ] [ 4.2983452e-10 2.7662369e-10 5.1806038e-10 ] [ 4.883745300000001e-10 1.7031967e-10 3.3060959e-10 ] [ 3.5859266e-10 4.6121783e-10 2.5986617e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.6871365 3.8051457 0.3514262 ] [ 1.5031127 -1.9681085 0.9445573 ] [ -0.8901655 0.7442855 0.8082954 ] [ 0.1381391 0.2982874 -1.2431307 ] [ -0.0019161 -0.4430078 0.4630048 ] [ -0.1244307 -0.4939458 0.9927827 ] [ -1.311876 -1.9426566 -2.3169357 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.100914035598339e-09 6.09651547927765e-09 5.630468415765851e-10 ] [ 2.408252026367564e-09 -3.153257425897757e-09 1.513347623065972e-09 ] [ -1.426202352742743e-09 1.192476827300439e-09 1.295031992580184e-09 ] [ 2.213232364383533e-10 4.779090985592179e-10 -1.991714944138739e-09 ] [ -3.06993062311488e-12 -7.097767399920423e-10 7.418154658781799e-10 ] [ -1.993599584497786e-10 -7.913884127023526e-10 1.5906132314747e-09 ] [ -2.101857056588621e-09 -3.112478986762817e-09 -3.712140210436883e-09 ] ] } "relaxed-potential-energy" { "source-value" -24.332335 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.898469826647357e-18 } }