{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2442347 -3.6806253 2.6567218 ] [ -1.0797641 4.038576 -0.1502318 ] [ 0.8384074 -0.8869191 -0.4205288 ] [ 1.4853936 -0.8672146 -5.5486193 ] [ 2.0001978 1.3961829 3.462658 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.197836988728101e-09 -5.897011805584986e-09 4.256537555929693e-09 ] [ -1.729972796999153e-09 6.470512048523981e-09 -2.406978776607015e-10 ] [ 1.343276734985714e-09 -1.421001046560977e-09 -6.73761411733079e-10 ] [ 2.379862898605947e-09 -1.389430957336424e-09 -8.889868120179663e-09 ] [ 3.204670152135594e-09 2.236931600740744e-09 5.547789693426087e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.8973523992349506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.244246897073026e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7491268 0.8336263 1.9664936 ] [ 2.3783101 3.1001617 1.7132084 ] [ 2.8548144 1.9454374 3.7223764 ] [ 3.5003128 1.4062759 0.501159 ] [ 4.6060059 2.5180757 2.2570449 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7491268e-10 8.336263e-11 1.9664936e-10 ] [ 2.3783101e-10 3.1001617e-10 1.7132084e-10 ] [ 2.8548144e-10 1.9454374e-10 3.7223764e-10 ] [ 3.5003128e-10 1.4062759e-10 5.01159e-11 ] [ 4.6060059e-10 2.5180757e-10 2.2570449e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.8e-06 2.1e-06 5.3e-06 ] [ 4.1e-06 -1.7e-06 -7e-07 ] [ -5.9e-06 -1.06e-05 -3.8e-06 ] [ 4.5e-06 7e-07 8.4e-06 ] [ 6.2e-06 9.5e-06 -9.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.409915426304e-14 3.36457090368e-15 8.491536090240001e-15 ] [ 6.568924145279999e-15 -2.72370025536e-15 -1.12152363456e-15 ] [ -9.45284206272e-15 -1.698307218048e-14 -6.08827115904e-15 ] [ 7.2097947936e-15 1.12152363456e-15 1.345828361472e-14 ] [ 9.93349504896e-15 1.52206778976e-14 -1.474002491136e-14 ] ] } "relaxed-potential-energy" { "source-value" -5.34072039923495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.55677736188388e-19 } }