{ "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" [ [ 1.274537600618209e-09 7.117844333798105e-10 1.051605777015884e-09 ] [ 2.700966384713053e-08 2.814928984384744e-08 1.712559955049569e-08 ] [ -2.198453408671121e-08 -2.705406624992988e-10 -7.395070558955759e-10 ] [ 6.662410885558572e-09 -2.227914777357169e-08 -1.41041342646138e-08 ] [ -1.516464333718482e-08 -3.364069962810081e-08 1.33772888902214e-08 ] [ 9.64479796181356e-09 2.654159723613191e-08 -4.567303621594567e-09 ] [ -7.442232871224836e-09 7.877167110302993e-10 -1.214354943584669e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.344804 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.618726305610973e-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" [ [ 7.16172955398e-14 2.61154791342e-14 2.162938455899999e-14 ] [ -2.851874408519999e-14 3.62091919284e-14 -3.10822266996e-14 ] [ 2.06680785786e-14 -3.6048974265e-14 2.86789617486e-14 ] [ -6.392684769659999e-14 1.1215236438e-15 -1.81045959642e-14 ] [ 9.2926244772e-15 3.925332753299999e-14 -1.02539304576e-14 ] [ -2.22702552126e-14 -3.94135451964e-14 -7.370012516399999e-15 ] [ 1.31378483988e-14 -2.723700277799999e-14 1.65024193302e-14 ] ] } "relaxed-potential-energy" { "source-value" -27.211343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.359737793435946e-18 } }