{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.061869 2.942366 1.677644 ] [ 1.882152 2.580028 5.41738 ] [ 1.143094 3.952812 3.395101 ] [ 3.99886 1.876175 2.533949 ] [ 4.004626 1.895608 4.810911 ] [ 3.218518 3.766044 3.544324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.061869e-10 2.942366e-10 1.677644e-10 ] [ 1.882152e-10 2.580028e-10 5.41738e-10 ] [ 1.143094e-10 3.952812e-10 3.395101e-10 ] [ 3.99886e-10 1.876175e-10 2.533949e-10 ] [ 4.004626e-10 1.895608e-10 4.810911e-10 ] [ 3.218518e-10 3.766044e-10 3.544324e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -13.9468227 -8.3143348 -23.8273646 ] [ -7.5159346 -0.9945744 5.0952402 ] [ -15.6248366 1.972647 2.7223362 ] [ 6.7587279 -10.0209456 -10.9593986 ] [ 5.0274436 -4.7387514 9.2585343 ] [ 25.3014224 22.0959593 17.7106525 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.234527344848079e-08 -1.332103294381306e-08 -3.817564681191875e-08 ] [ -1.204185479879213e-08 -1.593483864454569e-09 8.163474793057486e-09 ] [ -2.5033748110588e-08 3.160528930530198e-09 4.361663449532351e-09 ] [ 1.082867591694389e-08 -1.605532489090511e-08 -1.755889235961231e-08 ] [ 8.054852664672841e-09 -7.592316767414786e-09 1.483380732054755e-08 ] [ 4.05373477762442e-08 3.540162969627499e-08 2.837559360839368e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -7.9753565 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.277792983212002e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.121327 3.0265417 1.4374348 ] [ 1.875431 2.9000404 5.6119357 ] [ 0.7084858 3.7654439 3.4730124 ] [ 4.1615498 1.7047277 2.3183158 ] [ 4.0096342 1.626613 4.8983409 ] [ 3.4326912 3.9896662 3.6402693 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.121327e-10 3.0265417e-10 1.4374348e-10 ] [ 1.875431e-10 2.9000404e-10 5.6119357e-10 ] [ 7.084858000000001e-11 3.7654439e-10 3.4730124e-10 ] [ 4.161549800000001e-10 1.7047277e-10 2.3183158e-10 ] [ 4.0096342e-10 1.626613e-10 4.8983409e-10 ] [ 3.4326912e-10 3.9896662e-10 3.6402693e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.5e-06 1.77e-05 -5.38e-05 ] [ -1.99e-05 2.73e-05 5.93e-05 ] [ -5.92e-05 -1.4e-05 6.1e-06 ] [ 1.99e-05 4.8e-06 6.46e-05 ] [ 1.06e-05 -1.09e-05 -6.72e-05 ] [ 5.41e-05 -2.49e-05 -9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.811971486999999e-15 2.83585264218e-14 -8.619710290919999e-14 ] [ -3.18833150166e-14 4.37394221082e-14 9.500907439619998e-14 ] [ -9.48488567328e-14 -2.243047287599999e-14 9.773277467399999e-15 ] [ 3.18833150166e-14 7.690447843199998e-15 1.035006105564e-13 ] [ 1.69830723204e-14 -1.74637253106e-14 -1.076662698048e-13 ] [ 8.66777558994e-14 -3.989419818659999e-14 -1.4419589706e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.748298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.164026161686893e-18 } }