{ "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" [ [ 0.563951 0.9225225 1.195567 ] [ 1.348432 0.3073599 2.755625 ] [ 0.2422324 2.903648 2.041824 ] [ 2.040932 0.0344744 0.838059 ] [ 2.055265 2.344707 1.01543 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.63951e-11 9.225225000000001e-11 1.195567e-10 ] [ 1.348432e-10 3.073599e-11 2.755625000000001e-10 ] [ 2.422324e-11 2.903648e-10 2.041824e-10 ] [ 2.040932e-10 3.447440000000001e-12 8.38059e-11 ] [ 2.055265e-10 2.344707e-10 1.01543e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -47.8279684 4.9561392 -17.9767081 ] [ 6.9290987 -8.2021269 30.5093842 ] [ -3.3591309 7.3845416 5.8270861 ] [ 28.8864834 -19.0613632 -13.3817172 ] [ 15.3715171 14.9228093 -4.9780451 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.662885279084119e-08 7.940610355670416e-09 -2.880186143676599e-08 ] [ 1.110163994035567e-08 -1.314125596001478e-08 4.888142208024491e-08 ] [ -5.381920994186863e-09 1.183133990684503e-08 9.336021116808651e-09 ] [ 4.628124836060729e-08 -3.053967047961747e-08 -2.143987444399724e-08 ] [ 2.462788532384742e-08 2.390897617711681e-08 -7.975707476507999e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 19.085338 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.057808234366583e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1404249 0.2170005 0.307753 ] [ 2.5534989 0.2236127 2.488056 ] [ 0.3447174 3.621308 2.0863696 ] [ 1.3620963 -0.7539975 1.2110989 ] [ 2.1309248 3.2047881 1.7532274 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.404249e-11 2.170005e-11 3.07753e-11 ] [ 2.5534989e-10 2.236127e-11 2.488056e-10 ] [ 3.447174e-11 3.621308e-10 2.0863696e-10 ] [ 1.3620963e-10 -7.539975e-11 1.2110989e-10 ] [ 2.1309248e-10 3.2047881e-10 1.7532274e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.8011289 0.2282245 0.7209763 ] [ -0.947928 0.4898559 -0.848547 ] [ -0.0764814 0.1455806 -0.0217927 ] [ 0.0923957 -0.7883689 -0.0352374 ] [ 0.1308849 -0.075292 0.1846009 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.283549993827221e-09 3.656559581937696e-10 1.155131372010887e-09 ] [ -1.518748079801702e-09 7.848356705409427e-10 -1.359522165049978e-09 ] [ -1.225367110060531e-10 2.332458337620365e-10 -3.491575444410816e-11 ] [ 1.480342304024506e-10 -1.263106220145813e-09 -5.645653845777792e-11 ] [ 2.097007267957459e-10 -1.206310821332736e-10 2.957632461586387e-10 ] ] } "relaxed-potential-energy" { "source-value" -25.969152 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.160716819640157e-18 } }