{ "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" [ [ 1.919195 1.598632 0.607522 ] [ 2.894266 0.8592219 2.792014 ] [ 2.250891 3.034774 3.11288 ] [ 5.028948 2.389792 2.243338 ] [ 4.250492 2.740815 4.381763 ] [ 4.34969 4.079675 2.747402 ] [ 3.264148 3.629997 0.8600408 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.919195e-10 1.598632e-10 6.07522e-11 ] [ 2.894266e-10 8.592219e-11 2.792014e-10 ] [ 2.250891e-10 3.034774e-10 3.11288e-10 ] [ 5.028948e-10 2.389792e-10 2.243338e-10 ] [ 4.250492000000001e-10 2.740815e-10 4.381763e-10 ] [ 4.34969e-10 4.079675e-10 2.747402e-10 ] [ 3.264148e-10 3.629997e-10 8.600408e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7955038 0.4442609 0.6563607 ] [ 16.8581062 17.5694048 10.6889585 ] [ -13.7216669 -0.1688582 -0.461564 ] [ 4.1583498 -13.9055503 -8.8031082 ] [ -9.4650259 -20.9968732 8.349447 ] [ 6.0198094 16.565962 -2.8506867 ] [ -4.6450764 0.4916541 -7.5794074 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.274537590117559e-09 7.117844275155667e-10 1.051605768351923e-09 ] [ 2.700966362460353e-08 2.81492896119313e-08 1.712559940940144e-08 ] [ -2.198453390558522e-08 -2.705406602703706e-10 -7.395070498029312e-10 ] [ 6.662410830668355e-09 -2.227914759001843e-08 -1.410413414841277e-08 ] [ -1.516464321224648e-08 -3.364069935094209e-08 1.33772887800087e-08 ] [ 9.644797882352075e-09 2.654159701746121e-08 -4.567303583965503e-09 ] [ -7.442232809909829e-09 7.877167045404652e-10 -1.214354933579851e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.344804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.618726284035833e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8504282 1.6165179 0.8685044 ] [ 3.1074959 0.7964087 2.8541319 ] [ 2.1813537 3.1504568 2.9331034 ] [ 5.0042863 2.2004436 2.0438304 ] [ 4.1204679 2.4999201 4.4059795 ] [ 4.3148116 4.4919552 2.8948091 ] [ 3.3787864 3.5772046 0.7446011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8504282e-10 1.6165179e-10 8.685044e-11 ] [ 3.1074959e-10 7.964087e-11 2.8541319e-10 ] [ 2.1813537e-10 3.150456800000001e-10 2.9331034e-10 ] [ 5.004286300000001e-10 2.2004436e-10 2.0438304e-10 ] [ 4.120467900000001e-10 2.4999201e-10 4.4059795e-10 ] [ 4.3148116e-10 4.4919552e-10 2.8948091e-10 ] [ 3.3787864e-10 3.5772046e-10 7.446011e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.47e-05 1.63e-05 1.35e-05 ] [ -1.78e-05 2.26e-05 -1.94e-05 ] [ 1.29e-05 -2.25e-05 1.79e-05 ] [ -3.99e-05 7e-07 -1.13e-05 ] [ 5.8e-06 2.45e-05 -6.4e-06 ] [ -1.39e-05 -2.46e-05 -4.6e-06 ] [ 8.2e-06 -1.7e-05 1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.161729494976001e-14 2.611547891904e-14 2.16293843808e-14 ] [ -2.851874385024e-14 3.620919163008e-14 -3.108222644352e-14 ] [ 2.066807840832e-14 -3.604897396800001e-14 2.867896151232001e-14 ] [ -6.392684716992e-14 1.12152363456e-15 -1.810459581504e-14 ] [ 9.292624400640001e-15 3.92533272096e-14 -1.025393037312e-14 ] [ -2.227025502912e-14 -3.941354487168e-14 -7.370012455680001e-15 ] [ 1.313784829056e-14 -2.72370025536e-14 1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737757516974e-18 } }