{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4927074 -0.5148241 0.2236032 ] [ -1.7508559 -2.3716445 2.6614585 ] [ 0.6360853 2.7778109 -1.4111484 ] [ 0.811653 -0.7437685 0.3240996 ] [ -0.1290762 0.1418442 -0.3509075 ] [ -1.7462379 0.4540827 1.4969508 ] [ 1.6857245 0.2564993 -2.9440562 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.894042771751539e-10 -8.248391368444013e-10 3.582518193760665e-10 ] [ -2.805180389369743e-09 -3.799793370748905e-09 4.264126585929437e-09 ] [ 1.019120996494554e-09 4.450543680983406e-09 -2.260908974959327e-09 ] [ 1.300411460802182e-09 -1.191648501987485e-09 5.192648019306317e-10 ] [ -2.06802869941705e-10 2.272594610360794e-10 -5.62215792563376e-10 ] [ -2.797781537734888e-09 7.275206858497402e-10 2.398379574247857e-09 ] [ 2.70082838300977e-09 4.109571817115654e-10 -4.716898013961289e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.523179 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288175757829352e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7024512 1.100359 1.5745648 ] [ 1.7214542 1.6628007 3.6277496 ] [ 3.0194191 3.3458025 2.4487925 ] [ 5.3132878 2.542925 2.4272271 ] [ 4.3318065 3.1051714 4.4802409 ] [ 3.6138888 0.9120535 4.7462123 ] [ 4.6013763 0.3462525 2.6797228 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7024512e-10 1.100359e-10 1.5745648e-10 ] [ 1.7214542e-10 1.6628007e-10 3.6277496e-10 ] [ 3.0194191e-10 3.3458025e-10 2.4487925e-10 ] [ 5.3132878e-10 2.542925e-10 2.4272271e-10 ] [ 4.3318065e-10 3.1051714e-10 4.4802409e-10 ] [ 3.6138888e-10 9.120535e-11 4.7462123e-10 ] [ 4.6013763e-10 3.462525000000001e-11 2.6797228e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.74e-05 -3.69e-05 -1.49e-05 ] [ -6.33e-05 1.41e-05 -2.97e-05 ] [ 9.2e-06 2.24e-05 1.62e-05 ] [ -9.9e-06 8.12e-05 1.77e-05 ] [ 6.2e-05 -1.3e-05 -3.09e-05 ] [ 5.3e-06 -2.12e-05 1.62e-05 ] [ 2.4e-05 -4.66e-05 2.54e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.389963940992e-14 -5.912031730752001e-14 -2.387243164992e-14 ] [ -1.0141778009664e-13 2.259069035328e-14 -4.758464563776e-14 ] [ 1.474002491136e-14 3.588875630592e-14 2.595526125696e-14 ] [ -1.586154854592e-14 1.3009674160896e-13 2.835852618816e-14 ] [ 9.93349504896e-14 -2.08282960704e-14 -4.950725758272e-14 ] [ 8.491536090240001e-15 -3.396614436096001e-14 2.595526125696e-14 ] [ 3.84522388992e-14 -7.466143052928e-14 4.069528616832e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }