{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.841627 2.849258 1.50686 ] [ 0.998489 4.149663 3.105849 ] [ 4.765797 1.647113 1.498592 ] [ 3.299037 1.906995 3.475865 ] [ 3.256514 4.175642 3.223298 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.841627e-10 2.849258e-10 1.50686e-10 ] [ 9.98489e-11 4.149663e-10 3.105849e-10 ] [ 4.765797e-10 1.647113e-10 1.498592e-10 ] [ 3.299037e-10 1.906995e-10 3.475865e-10 ] [ 3.256514e-10 4.175642e-10 3.223298000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.906971 0.1047396 -5.526648 ] [ -0.2648753 0.2545783 -0.0453114 ] [ 0.5207095 -0.5917146 0.1318861 ] [ 1.2571551 -2.8466762 3.0442279 ] [ 0.3939817 3.0790729 2.3958454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.055304352743597e-09 1.678113383919437e-10 -8.854666216991077e-09 ] [ -4.243770130873862e-10 4.078794004230086e-10 -7.259686573571711e-11 ] [ 8.342685871284577e-10 -9.480312983060235e-10 2.113048260284909e-10 ] [ 2.014184509939486e-09 -4.560878054627785e-09 4.877390769767081e-09 ] [ 6.312282687630394e-10 4.933218614118857e-09 3.838567486931224e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.466488 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.837133899628375e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3654778 2.9024951 0.7511355 ] [ 1.6341908 4.2678948 2.4095132 ] [ 4.0182997 1.5968697 1.5954317 ] [ 4.3084932 2.1553289 3.7756209 ] [ 2.8350026 3.8060824 4.2787627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3654778e-10 2.9024951e-10 7.511355e-11 ] [ 1.6341908e-10 4.2678948e-10 2.4095132e-10 ] [ 4.0182997e-10 1.5968697e-10 1.5954317e-10 ] [ 4.3084932e-10 2.1553289e-10 3.7756209e-10 ] [ 2.8350026e-10 3.8060824e-10 4.2787627e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-06 3.8e-06 4.2e-06 ] [ -2.7e-06 -1.22e-05 3.1e-06 ] [ -4.5e-06 6e-06 4.3e-06 ] [ -8.3e-06 -3.1e-06 -4.1e-06 ] [ 7.5e-06 5.6e-06 -7.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-14 6.08827115904e-15 6.72914180736e-15 ] [ -4.32587687616e-15 -1.954655477376e-14 4.96674752448e-15 ] [ -7.2097947936e-15 9.6130597248e-15 6.889359469440001e-15 ] [ -1.329806595264e-14 -4.96674752448e-15 -6.568924145279999e-15 ] [ 1.2016324656e-14 8.972189076479999e-15 -1.2016324656e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.066442 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.41391011310392e-18 } }