{ "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" [ [ 2.55675 2.192965 3.527099 ] [ 1.806278 5.26626 2.450306 ] [ 0.8031725 3.384297 2.630387 ] [ 2.570894 3.149532 1.167105 ] [ 2.627788 4.286276 4.286712 ] [ 4.842075 2.861339 2.293967 ] [ 3.90768 5.002934 2.246314 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.55675e-10 2.192965e-10 3.527099e-10 ] [ 1.806278e-10 5.26626e-10 2.450306e-10 ] [ 8.031725e-11 3.384297e-10 2.630387e-10 ] [ 2.570894e-10 3.149532e-10 1.167105e-10 ] [ 2.627788e-10 4.286276e-10 4.286712e-10 ] [ 4.842075000000001e-10 2.861339e-10 2.293967e-10 ] [ 3.90768e-10 5.002934e-10 2.246314e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0393514 0.2442567 0.9164024 ] [ -1.9337016 5.0655148 -1.6297078 ] [ 0.6325627 -3.6259382 -2.5127379 ] [ -2.7431545 0.1293861 1.9575048 ] [ 0.9897661 -1.8432829 1.9998588 ] [ -5.0396481 12.068649 -0.2924158 ] [ 8.1335268 -12.0385856 -0.4389045 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.304789307574913e-11 3.913423742137593e-10 1.46823850052501e-09 ] [ -3.098131495123553e-09 8.115849384876389e-09 -2.611079735895402e-09 ] [ 1.013477169130124e-09 -5.809393412505635e-09 -4.025849917578089e-09 ] [ -4.395018007142314e-09 2.072993844764909e-10 3.13626842566378e-09 ] [ 1.585780105480395e-09 -2.953264767900424e-09 3.204127014261143e-09 ] [ -8.07440636287914e-09 1.93361072724413e-08 -4.685017583125287e-10 ] [ 1.303134648361024e-08 -1.928794039581954e-08 -7.032025286639136e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -9.7641395 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.56438760291298e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6614301 2.0734034 3.7112859 ] [ 2.3029888 4.81838 2.3143819 ] [ 0.6594017 3.5305246 1.6174116 ] [ -0.341866 1.7481051 0.8029769 ] [ 2.7918755 4.0579899 4.6449584 ] [ 6.6001292 4.751266 2.8043265 ] [ 4.4406782 5.163934 2.7065488 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6614301e-10 2.0734034e-10 3.7112859e-10 ] [ 2.3029888e-10 4.81838e-10 2.3143819e-10 ] [ 6.594017e-11 3.5305246e-10 1.6174116e-10 ] [ -3.41866e-11 1.7481051e-10 8.029769000000001e-11 ] [ 2.7918755e-10 4.0579899e-10 4.6449584e-10 ] [ 6.6001292e-10 4.751266e-10 2.804326500000001e-10 ] [ 4.4406782e-10 5.163934000000001e-10 2.7065488e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9e-05 0.0013661 0.0006437 ] [ -0.0636518 -0.0787392 -0.0411455 ] [ -0.0157225 -0.0086353 -0.0055445 ] [ -0.0115547 0.0358632 0.0126483 ] [ 0.0005281 -0.0023284 0.0023038 ] [ -0.0319631 0.0317717 0.0086055 ] [ 0.122274 0.0207019 0.0224888 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.44195895872e-13 2.18873348167488e-12 1.03132109080896e-12 ] [ -1.019814258318374e-10 -1.261541053804954e-10 -6.592235815112641e-11 ] [ -2.5190221920528e-11 -1.383527577359424e-11 -8.8832682740256e-12 ] [ -1.851267020035776e-11 5.745918058707455e-11 2.026481055286464e-11 ] [ 8.4610947344448e-13 -3.73050804387072e-12 3.69109449899904e-12 ] [ -5.121053154829248e-11 5.090387494307136e-11 1.37875309102944e-11 ] [ 1.959045441316992e-10 3.316810018613952e-11 3.603102958984704e-11 ] ] } "relaxed-potential-energy" { "source-value" -14.03954 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.249382275478643e-18 } }