{ "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" [ [ 1.442259 2.324158 2.548252 ] [ 2.158618 1.41899 4.605472 ] [ 2.34516 4.213318 2.000238 ] [ 2.029556 3.900131 4.500233 ] [ 3.591834 1.471441 2.657937 ] [ 4.338938 2.513725 4.512162 ] [ 5.128703 3.807673 2.402827 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442259e-10 2.324158e-10 2.548252e-10 ] [ 2.158618e-10 1.41899e-10 4.605472e-10 ] [ 2.34516e-10 4.213318e-10 2.000238e-10 ] [ 2.029556e-10 3.900131e-10 4.500233e-10 ] [ 3.591834e-10 1.471441e-10 2.657937e-10 ] [ 4.338938e-10 2.513725e-10 4.512162e-10 ] [ 5.128703e-10 3.807673e-10 2.402827e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8180362 -1.1655167 0.4373342 ] [ 0.2676552 0.5914777 0.0260616 ] [ 2.2735516 1.0949158 0.5633016 ] [ 0.4409776 -0.6483496 -0.5891818 ] [ 0.5469761 0.0002947 -0.9628356 ] [ -0.2257467 1.2022713 -0.1208289 ] [ -2.4853776 -1.0750932 0.646149 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.310638485406151e-09 -1.867363623276788e-09 7.006866364890828e-10 ] [ 4.288309074085968e-10 9.476517504720617e-10 4.17552865646544e-11 ] [ 3.642631249713314e-09 1.754248510957417e-09 9.025086614148142e-10 ] [ 7.065240068373983e-10 -1.038770579783246e-09 -9.43973313138061e-10 ] [ 8.763523267764472e-10 4.721614540398e-13 -1.54263270070337e-09 ] [ -3.616860879426078e-10 1.926250984588804e-09 -1.935892402919226e-10 ] [ -3.982013917386998e-09 -1.722489204412289e-09 1.035244829882466e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.830261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.177158082032147e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.5088048 2.3446177 2.4894027 ] [ 2.2878304 1.4340856 4.5487739 ] [ 2.546228 4.4710691 2.1987615 ] [ 2.053378 3.8023325 4.4331312 ] [ 3.7044342 1.3290056 2.6358929 ] [ 4.2490235 2.7867459 4.5796513 ] [ 4.6853691 3.4815796 2.3415075 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5088048e-10 2.3446177e-10 2.4894027e-10 ] [ 2.2878304e-10 1.4340856e-10 4.5487739e-10 ] [ 2.546228e-10 4.471069100000001e-10 2.1987615e-10 ] [ 2.053378e-10 3.8023325e-10 4.4331312e-10 ] [ 3.704434200000001e-10 1.3290056e-10 2.6358929e-10 ] [ 4.2490235e-10 2.7867459e-10 4.5796513e-10 ] [ 4.6853691e-10 3.4815796e-10 2.3415075e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.59e-05 -2.14e-05 -1.91e-05 ] [ -7e-07 1.2e-05 -1.97e-05 ] [ 1.17e-05 -4e-07 -2.8e-06 ] [ -2.7e-06 4.06e-05 3.67e-05 ] [ 2.65e-05 -5.01e-05 1.49e-05 ] [ 1.1e-06 -2.89e-05 1.46e-05 ] [ -1e-07 4.82e-05 -2.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.751814116059999e-14 -3.42865799676e-14 -3.06015737094e-14 ] [ -1.1215236438e-15 1.9226119608e-14 -3.15628796898e-14 ] [ 1.87454666178e-14 -6.408706536e-16 -4.486094575199999e-15 ] [ -4.3258769118e-15 6.504837134039999e-14 5.879988246779999e-14 ] [ 4.2457680801e-14 -8.026904936339999e-14 2.38724318466e-14 ] [ 1.7623942974e-15 -4.63029047226e-14 2.33917788564e-14 ] [ -1.602176634e-16 7.72249137588e-14 -3.94135451964e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.43874 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.434864829040116e-18 } }