{ "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" [ [ 2.966235 1.459279 2.017921 ] [ 1.582263 2.973277 1.988687 ] [ 1.824476 2.329709 3.996255 ] [ 2.988754 4.654766 3.111716 ] [ 4.721481 3.212435 2.659559 ] [ 3.387912 3.682172 0.4517977 ] [ 4.184602 3.482657 5.105901 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.966235e-10 1.459279e-10 2.017921e-10 ] [ 1.582263e-10 2.973277e-10 1.988687e-10 ] [ 1.824476e-10 2.329709e-10 3.996255e-10 ] [ 2.988754e-10 4.654766e-10 3.111716e-10 ] [ 4.721481e-10 3.212435e-10 2.659559e-10 ] [ 3.387912e-10 3.682172e-10 4.517977e-11 ] [ 4.184602e-10 3.482657e-10 5.105901e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.6346191 -2.6286756 -0.0682598 ] [ -3.1770577 4.6107797 -3.4227319 ] [ 1.3339025 -0.268551 2.999162 ] [ -0.2073206 -0.4134538 0.2991714 ] [ -0.487318 -0.5374825 -0.417598 ] [ -0.1655246 -0.6756699 2.2018375 ] [ -0.9313008 -0.086947 -1.5915813 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.823301747533138e-09 -4.211602589987412e-09 -1.093642557004838e-10 ] [ -5.090207569872621e-09 7.387283438999239e-09 -5.483821029446364e-09 ] [ 2.137147399926672e-09 -4.302661336924608e-10 4.80518723839177e-09 ] [ -3.321642183302285e-10 -6.624260121409191e-10 4.793254226920051e-10 ] [ -7.807695064950144e-10 -8.61141895589136e-10 -6.690657524928385e-10 ] [ -2.651996442872717e-10 -1.082542517158274e-09 3.52773256530072e-09 ] [ -1.492108368692337e-09 -1.393044506486976e-10 -2.549994348962471e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.001458085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.121757245621532e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0088893 1.4624778 1.7990921 ] [ 1.3455964 3.1649088 1.9863366 ] [ 2.3928048 2.3026517 3.9079368 ] [ 2.8588434 4.6446181 3.0126119 ] [ 4.6355478 2.8261095 2.8125767 ] [ 3.4451663 3.654961 0.960909 ] [ 3.968875 3.738568 4.8523735 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0088893e-10 1.4624778e-10 1.7990921e-10 ] [ 1.3455964e-10 3.1649088e-10 1.9863366e-10 ] [ 2.3928048e-10 2.3026517e-10 3.9079368e-10 ] [ 2.8588434e-10 4.6446181e-10 3.0126119e-10 ] [ 4.635547800000001e-10 2.8261095e-10 2.8125767e-10 ] [ 3.4451663e-10 3.654961e-10 9.60909e-11 ] [ 3.968875e-10 3.738568e-10 4.8523735e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.42e-05 1.21e-05 -2.9e-06 ] [ 2.58e-05 -1.5e-06 2.15e-05 ] [ 1.76e-05 -2.16e-05 -4.1e-06 ] [ -2.4e-06 9.6e-06 -1.08e-05 ] [ -8e-06 2.1e-06 7.9e-06 ] [ 9.3e-06 -4.3e-06 4.4e-06 ] [ -1.81e-05 3.7e-06 -1.6e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.877267422336e-14 1.938633711168e-14 -4.646312200320001e-15 ] [ 4.133615681664e-14 -2.4032649312e-15 3.44467973472e-14 ] [ 2.819830852608e-14 -3.460701500928e-14 -6.568924145279999e-15 ] [ -3.84522388992e-15 1.538089555968e-14 -1.730350750464e-14 ] [ -1.28174129664e-14 3.36457090368e-15 1.265719530432e-14 ] [ 1.490024257344e-14 -6.889359469440001e-15 7.04957713152e-15 ] [ -2.899939683648e-14 5.928053496960001e-15 -2.56348259328e-14 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }