{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.8206722 -2.5536216 -0.3956105 ] [ -8.626957 2.39533 4.0474446 ] [ 4.6063441 -1.6064615 -3.4322647 ] [ 3.2947193 -6.938028 2.2945044 ] [ 5.5465658 8.7027812 -2.5140737 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.723568359013374e-09 -4.091352859597694e-09 -6.338378992650569e-10 ] [ -1.382190892792274e-08 3.837741756719219e-09 6.484721165529476e-09 ] [ 7.380176885183759e-09 -2.573835078720591e-09 -5.499094304043019e-09 ] [ 5.278722278048836e-09 -1.111594634763775e-08 3.67620133629019e-09 ] [ 8.886578123703516e-09 1.394339268945448e-08 -4.027990138293925e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.393209 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.665175661207851e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1099728 0.6309652 0.4912713 ] [ 0.6928001 1.7306317 2.4537163 ] [ 2.2685513 0.8487423 0.5010508 ] [ 2.9665321 0.6967728 2.9442164 ] [ 2.7581956 3.0269815 1.7236929 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.099728e-11 6.309652e-11 4.912713000000001e-11 ] [ 6.928001000000001e-11 1.7306317e-10 2.4537163e-10 ] [ 2.2685513e-10 8.487423e-11 5.010508000000001e-11 ] [ 2.9665321e-10 6.967728e-11 2.9442164e-10 ] [ 2.7581956e-10 3.0269815e-10 1.7236929e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.73e-05 -7.1e-06 -9.4e-06 ] [ -3.2e-05 5.8e-06 7.9e-06 ] [ 1.79e-05 1.5e-05 1.99e-05 ] [ 2.01e-05 -1.89e-05 -1.1e-06 ] [ 1.14e-05 5.3e-06 -1.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.77176557682e-14 -1.13754541014e-14 -1.50604603596e-14 ] [ -5.126965228799999e-14 9.2926244772e-15 1.26571954086e-14 ] [ 2.86789617486e-14 2.403264951e-14 3.18833150166e-14 ] [ 3.22037503434e-14 -3.02811383826e-14 -1.7623942974e-15 ] [ 1.82648136276e-14 8.4915361602e-15 -2.75574381048e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.499658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.483318988259117e-18 } }