{ "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" [ [ 2.298469 1.653345 1.333865 ] [ 0.8562694 1.609736 3.078689 ] [ 0.6106735 3.571622 1.917701 ] [ 2.573163 3.601998 2.791817 ] [ 3.634663 1.831744 3.381139 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.298469e-10 1.653345e-10 1.333865e-10 ] [ 8.562694e-11 1.609736e-10 3.078689e-10 ] [ 6.106735e-11 3.571622e-10 1.917701e-10 ] [ 2.573163e-10 3.601998e-10 2.791817e-10 ] [ 3.634663e-10 1.831744e-10 3.381139e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2652931 -0.0249288 -2.4058185 ] [ 0.3319277 -1.1178099 3.1305028 ] [ -4.1052089 0.7343393 -2.9106699 ] [ 1.9731718 4.5853566 1.0971407 ] [ 0.5348162 -4.1769573 1.0888449 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.027223039981426e-09 -3.99403408736592e-11 -3.854546186344929e-09 ] [ 5.318068051173617e-10 -1.790928903033876e-09 5.015618438831574e-09 ] [ -6.577269777268842e-09 1.176541267887916e-09 -4.663407303067116e-09 ] [ 3.161369752827721e-09 7.346551203077683e-09 1.757813193750403e-09 ] [ 8.568700191246706e-10 -6.692223387275727e-09 1.744521856830066e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.18316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.951957428028344e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3494692 1.8596487 1.2021469 ] [ 1.0565165 1.7585346 3.3959288 ] [ 0.4766629 3.4065887 1.6499063 ] [ 2.5779598 3.7428892 2.9038497 ] [ 3.5126295 1.5007838 3.3513793 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3494692e-10 1.8596487e-10 1.2021469e-10 ] [ 1.0565165e-10 1.7585346e-10 3.3959288e-10 ] [ 4.766629e-11 3.4065887e-10 1.6499063e-10 ] [ 2.5779598e-10 3.7428892e-10 2.9038497e-10 ] [ 3.5126295e-10 1.5007838e-10 3.3513793e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.5e-06 -7.1e-06 3.32e-05 ] [ 6e-06 -1.24e-05 -1.33e-05 ] [ 2.04e-05 -7e-07 3.5e-06 ] [ 4.3e-06 -6.5e-06 1.7e-06 ] [ -2.23e-05 2.68e-05 -2.51e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.3618501389e-14 -1.13754541014e-14 5.31922642488e-14 ] [ 9.613059803999999e-15 -1.98669902616e-14 -2.13089492322e-14 ] [ 3.26844033336e-14 -1.1215236438e-15 5.607618218999999e-15 ] [ 6.8893595262e-15 -1.0414148121e-14 2.7237002778e-15 ] [ -3.572853893819999e-14 4.293833379119999e-14 -4.02146335134e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.299971 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.291107940307761e-18 } }