{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.2844415 0.6957937 4.0973251 ] [ 2.6982838 -2.5409059 -6.1262663 ] [ 3.4490391 -5.8059025 1.6604076 ] [ 2.0066132 7.6750114 8.9946507 ] [ -2.5929783 -3.6884545 -4.7272933 ] [ 3.0732054 -0.9129217 2.3227465 ] [ -0.3497216 4.5773795 -6.2215703 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.327313848768528e-08 1.114784399039929e-09 6.564638483037022e-09 ] [ 4.323127220643383e-09 -4.070980028632782e-09 -9.815360638654919e-09 ] [ 5.525969810245072e-09 -9.302081248144273e-09 2.660266237718638e-09 ] [ 3.214948756028675e-09 1.229672382945348e-08 1.441101906380235e-08 ] [ -4.154409210501729e-09 -5.909555566784554e-09 -7.573958804924481e-09 ] [ 4.923817842796312e-09 -1.462661804360991e-09 3.721450138345027e-09 ] [ -5.603157713087693e-10 7.333770419429194e-09 -9.968054479323642e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -38.214471 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.122633201243961e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5089783 2.4900622 3.3527011 ] [ 5.6548099 2.3015264 1.1901859 ] [ 4.5740613 1.7772536 3.0466821 ] [ 5.2398873 3.8608066 2.7021191 ] [ 3.5845724 3.014235 1.4994181 ] [ 4.1610862 3.3349936 4.5530712 ] [ 3.1735135 4.5695776 3.0088054 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5089783e-10 2.4900622e-10 3.3527011e-10 ] [ 5.654809900000001e-10 2.3015264e-10 1.1901859e-10 ] [ 4.574061300000001e-10 1.7772536e-10 3.0466821e-10 ] [ 5.239887300000001e-10 3.8608066e-10 2.7021191e-10 ] [ 3.5845724e-10 3.014235e-10 1.4994181e-10 ] [ 4.1610862e-10 3.3349936e-10 4.5530712e-10 ] [ 3.1735135e-10 4.5695776e-10 3.0088054e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.55e-05 3.33e-05 -2.87e-05 ] [ -3.57e-05 1.2e-05 1.3e-06 ] [ 3.27e-05 -3.49e-05 -3.9e-06 ] [ -1.83e-05 -1.06e-05 1.54e-05 ] [ 8.8e-06 -3.38e-05 -7e-07 ] [ -1.63e-05 1.22e-05 -2.7e-06 ] [ -6.8e-06 2.18e-05 1.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.68772700384e-14 5.335248147264001e-14 -4.598246901696e-14 ] [ -5.719770536256001e-14 1.92261194496e-14 2.08282960704e-15 ] [ 5.239117550016001e-14 -5.591596406592e-14 -6.24848882112e-15 ] [ -2.931983216064e-14 -1.698307218048e-14 2.467351996032e-14 ] [ 1.409915426304e-14 -5.415356978304e-14 -1.12152363456e-15 ] [ -2.611547891904e-14 1.954655477376e-14 -4.32587687616e-15 ] [ -1.089480102144e-14 3.492745033344e-14 3.12424441056e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }