{ "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" [ [ 1.713643 2.381995 2.341744 ] [ 1.446412 4.331189 1.115178 ] [ 2.556484 4.191275 3.378185 ] [ 3.693858 2.577115 3.453442 ] [ 3.860603 3.859948 1.679861 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.713643e-10 2.381995e-10 2.341744e-10 ] [ 1.446412e-10 4.331189e-10 1.115178e-10 ] [ 2.556484e-10 4.191275e-10 3.378185e-10 ] [ 3.693858e-10 2.577115e-10 3.453442e-10 ] [ 3.860603e-10 3.859948e-10 1.679861e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -47.6222577 -61.3166573 -7.1797523 ] [ 13.277739 10.7613256 -16.8428131 ] [ -82.049164 130.5164022 73.6565855 ] [ 74.2452315 -112.4803855 40.2030934 ] [ 42.1484511 32.5193151 -89.8371135 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.629926791665279e-08 -9.824011479166566e-08 -1.150323127819503e-08 ] [ 2.127328300288437e-08 1.724154428513653e-08 -2.698516137732397e-08 ] [ -1.31457252316985e-07 2.091103282357697e-07 1.180108592560563e-07 ] [ 1.189539741151837e-07 -1.802134439466713e-07 6.441245632931878e-08 ] [ 6.752926295535204e-08 5.210168637764841e-08 -1.43934922929856e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 72.812505 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.166584932128831e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.4378688 1.7591296 2.1370657 ] [ 1.45756 4.5033604 1.1716731 ] [ 2.2425197 4.8337558 3.9533729 ] [ 3.8508374 2.4332436 3.6156894 ] [ 4.2822141 3.8120327 1.0906089 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4378688e-10 1.7591296e-10 2.1370657e-10 ] [ 1.45756e-10 4.5033604e-10 1.1716731e-10 ] [ 2.2425197e-10 4.8337558e-10 3.9533729e-10 ] [ 3.8508374e-10 2.4332436e-10 3.6156894e-10 ] [ 4.2822141e-10 3.8120327e-10 1.0906089e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.86e-05 2.22e-05 4.1e-06 ] [ 6.2e-06 -3.8e-06 6.9e-06 ] [ 4e-07 -1.42e-05 -1.61e-05 ] [ -6.2e-06 3.8e-06 -8.6e-06 ] [ -1.9e-05 -7.9e-06 1.38e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.980048514688e-14 3.556832098176e-14 6.568924145279999e-15 ] [ 9.93349504896e-15 -6.08827115904e-15 1.105501868352e-14 ] [ 6.408706483200001e-16 -2.275090801536e-14 -2.579504359488e-14 ] [ -9.93349504896e-15 6.08827115904e-15 -1.377871893888e-14 ] [ -3.04413557952e-14 -1.265719530432e-14 2.211003736704e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.147671 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.946271447337016e-18 } }