{ "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" [ [ 2.743488 1.903222 1.191758 ] [ 2.092285 1.109675 3.649357 ] [ 1.94045 3.241003 2.726585 ] [ 4.050079 0.1031898 2.277213 ] [ 5.000478 2.032764 2.106801 ] [ 4.158728 1.007331 4.48257 ] [ 3.981083 3.39009 3.613579 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743488e-10 1.903222e-10 1.191758e-10 ] [ 2.092285e-10 1.109675e-10 3.649357e-10 ] [ 1.94045e-10 3.241003e-10 2.726585e-10 ] [ 4.050079e-10 1.031898e-11 2.277213e-10 ] [ 5.000478000000001e-10 2.032764e-10 2.106801e-10 ] [ 4.158728e-10 1.007331e-10 4.48257e-10 ] [ 3.981083e-10 3.39009e-10 3.613579e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.613786 -1.9621904 -2.8011951 ] [ -6.8014543 -2.4109702 1.455988 ] [ -7.7408064 5.2228767 1.5893958 ] [ -2.2689213 -4.9873923 0.0080158 ] [ 12.0362044 2.508726 -4.6041608 ] [ 3.4591377 0.5202256 1.4523829 ] [ 0.7020539 1.1087246 2.8995733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.83393587476324e-10 -3.143775610339113e-09 -4.488009336495294e-09 ] [ -1.089713115667882e-08 -3.862800119710307e-09 2.332749952984392e-09 ] [ -1.240213914239766e-08 8.367971011003026e-09 2.546492812937737e-09 ] [ -3.635212691244904e-09 -7.990683407651517e-09 1.28427274628172e-11 ] [ 1.928412545172799e-08 4.019422178308283e-09 -7.376678852938747e-09 ] [ 5.542149596728501e-09 8.334933007286302e-10 2.326973946001158e-09 ] [ 1.124814354388572e-09 1.776372647660996e-09 4.645628589830272e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.194191 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.915030769473309e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9850379 2.0845715 1.3031166 ] [ 2.1258748 1.202582 3.652068 ] [ 1.4391723 3.3785695 2.7207539 ] [ 3.7930193 -0.0855892 2.2809768 ] [ 5.3346843 1.8759489 2.1716109 ] [ 4.5256817 1.045453 4.3834211 ] [ 3.7631207 3.2857392 3.5359156 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9850379e-10 2.0845715e-10 1.3031166e-10 ] [ 2.1258748e-10 1.202582e-10 3.652068e-10 ] [ 1.4391723e-10 3.3785695e-10 2.7207539e-10 ] [ 3.7930193e-10 -8.558920000000001e-12 2.2809768e-10 ] [ 5.334684300000001e-10 1.8759489e-10 2.1716109e-10 ] [ 4.5256817e-10 1.045453e-10 4.3834211e-10 ] [ 3.7631207e-10 3.2857392e-10 3.5359156e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -1.21e-05 1.6e-06 ] [ 2.6e-06 -8.2e-06 -1.38e-05 ] [ 8.7e-06 9e-06 8.1e-06 ] [ -2.2e-06 4.8e-06 4e-06 ] [ -4.6e-06 6.1e-06 -4.7e-06 ] [ -2e-06 2.6e-06 6.4e-06 ] [ -2.6e-06 -2.2e-06 -1.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-16 -1.93863372714e-14 2.5634826144e-15 ] [ 4.165659248399999e-15 -1.31378483988e-14 -2.21100375492e-14 ] [ 1.39389367158e-14 1.4419589706e-14 1.29776307354e-14 ] [ -3.5247885948e-15 7.690447843199998e-15 6.408706535999999e-15 ] [ -7.370012516399999e-15 9.773277467399999e-15 -7.530230179799999e-15 ] [ -3.204353268e-15 4.165659248399999e-15 1.02539304576e-14 ] [ -4.165659248399999e-15 -3.5247885948e-15 -2.403264951e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.073267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.536527262344328e-18 } }