{ "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" [ [ 7.894042836788915e-10 -8.248391436400792e-10 3.582518223276288e-10 ] [ -2.80518041248104e-09 -3.799793402054612e-09 4.264126621060689e-09 ] [ 1.01912100489088e-09 4.45054371765051e-09 -2.260908993586486e-09 ] [ 1.300411471516002e-09 -1.191648511805229e-09 5.192648062087463e-10 ] [ -2.068028716455108e-10 2.272594629084228e-10 -5.622157971953549e-10 ] [ -2.797781560785228e-09 7.275206918436318e-10 2.398379594007607e-09 ] [ 2.700828405261333e-09 4.109571850973562e-10 -4.71689805282283e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.523179 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288175784919948e-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" [ [ -4.389963977159999e-14 -5.91203177946e-14 -2.38724318466e-14 ] [ -1.014177809322e-13 2.25906905394e-14 -4.75846460298e-14 ] [ 1.47400250328e-14 3.588875660159999e-14 2.59552614708e-14 ] [ -1.58615486766e-14 1.300967426808e-13 2.83585264218e-14 ] [ 9.933495130799999e-14 -2.082829624199999e-14 -4.950725799059999e-14 ] [ 8.4915361602e-15 -3.39661446408e-14 2.59552614708e-14 ] [ 3.8452239216e-14 -7.466143114439999e-14 4.06952865036e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }