{ "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" [ [ 1.888839 2.682802 2.483288 ] [ 4.584027 1.697115 1.780244 ] [ 5.622084 2.160801 4.094107 ] [ 3.250182 0.9950144 3.979579 ] [ 5.691266 3.575432 2.207922 ] [ 3.710937 3.502612 1.042458 ] [ 3.524601 3.924526 3.14177 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.888839e-10 2.682802e-10 2.483288e-10 ] [ 4.584027e-10 1.697115e-10 1.780244e-10 ] [ 5.622084000000001e-10 2.160801e-10 4.094107000000001e-10 ] [ 3.250182e-10 9.950144e-11 3.979579e-10 ] [ 5.691266e-10 3.575432e-10 2.207922e-10 ] [ 3.710937e-10 3.502612e-10 1.042458e-10 ] [ 3.524601e-10 3.924526e-10 3.14177e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5065504 -0.4899681 0.4484187 ] [ 2.9759697 -6.5193853 -3.6844743 ] [ 1.5649879 -0.7171084 1.8486896 ] [ -0.3073956 -0.925512 0.1411518 ] [ 2.6265119 1.178187 0.1231944 ] [ -0.9279689 0.7681685 -2.594864 ] [ -2.4255546 6.7056183 3.7178838 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.618113070536889e-09 -7.850154347577965e-10 7.18445957469529e-10 ] [ 4.768029077549189e-09 -1.044520670964719e-08 -5.903178583398446e-09 ] [ 2.507387025214889e-09 -1.148934313059295e-09 2.961927256236104e-09 ] [ -4.925020436567885e-10 -1.48283368866985e-09 2.261501139438374e-10 ] [ 4.208135960432987e-09 1.88766366633049e-09 1.973791874934835e-10 ] [ -1.486770076409493e-09 1.230741611535005e-09 -4.157430434955571e-09 ] [ -3.886166872593895e-09 1.074358486826864e-08 5.956706503211064e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.814846 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.05316466603524e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1242293 2.8019177 3.5899259 ] [ 3.9996954 0.9287692 1.034248 ] [ 5.6344957 1.9371029 4.288264 ] [ 3.6575873 1.0144848 3.3734551 ] [ 5.5079346 4.2531816 3.6341529 ] [ 3.8731181 3.2448484 0.3801406 ] [ 3.4748756 4.3579979 2.4291815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1242293e-10 2.8019177e-10 3.5899259e-10 ] [ 3.9996954e-10 9.287692e-11 1.034248e-10 ] [ 5.634495700000001e-10 1.9371029e-10 4.288264e-10 ] [ 3.6575873e-10 1.0144848e-10 3.3734551e-10 ] [ 5.5079346e-10 4.2531816e-10 3.6341529e-10 ] [ 3.8731181e-10 3.2448484e-10 3.801406e-11 ] [ 3.4748756e-10 4.3579979e-10 2.4291815e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.6e-06 -6e-07 1.14e-05 ] [ -4.3e-06 -4.5e-06 -3e-07 ] [ 8.8e-06 8e-07 4e-07 ] [ -3.7e-06 -3.5e-06 -1.28e-05 ] [ -8.4e-06 -3.1e-06 -1.1e-06 ] [ 1.34e-05 -9.2e-06 6.2e-06 ] [ -7.3e-06 2.01e-05 -3.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.56348259328e-15 -9.6130597248e-16 1.826481347712e-14 ] [ -6.889359469440001e-15 -7.2097947936e-15 -4.8065298624e-16 ] [ 1.409915426304e-14 1.28174129664e-15 6.408706483200001e-16 ] [ -5.928053496960001e-15 -5.6076181728e-15 -2.050786074624e-14 ] [ -1.345828361472e-14 -4.96674752448e-15 -1.76239428288e-15 ] [ 2.146916671872e-14 -1.474002491136e-14 9.93349504896e-15 ] [ -1.169588933184e-14 3.220375007808e-14 -5.76783583488e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.442861 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.435525057726411e-18 } }