{ "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" [ [ 1.305811 2.49596 1.153083 ] [ 2.737889 0.6120376 2.536176 ] [ 2.287817 4.454983 1.771215 ] [ 3.462438 1.614504 0.7986264 ] [ 3.194185 2.806829 3.238803 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.305811e-10 2.49596e-10 1.153083e-10 ] [ 2.737889e-10 6.120375999999999e-11 2.536176e-10 ] [ 2.287817e-10 4.454983e-10 1.771215e-10 ] [ 3.462438e-10 1.614504e-10 7.986264e-11 ] [ 3.194185e-10 2.806829e-10 3.238803e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0247549 0.198975 -1.0157602 ] [ -0.5697499 -1.5548315 1.9472752 ] [ 0.1197004 -0.1570938 0.3983446 ] [ 0.966099 0.515627 -2.4752897 ] [ 0.5087054 0.9973233 1.14543 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.641838342830242e-09 3.1879309312368e-10 -1.627427244779132e-09 ] [ -9.12839969483138e-10 -2.491114678583395e-09 3.119878799703644e-09 ] [ 1.917811823804083e-10 -2.516920136326311e-10 6.382184051419278e-10 ] [ 1.547861231178259e-09 8.261255244532415e-10 -3.965851287047045e-09 ] [ 8.150358987547123e-10 1.597888074639105e-09 1.835181166762944e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.7549554 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.242480823722671e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.442465 2.1451259 0.8845232 ] [ 1.9701365 1.113387 2.9319892 ] [ 2.0428733 4.0554067 2.1195845 ] [ 3.7798758 2.0217947 0.6471695 ] [ 3.7527894 2.6485993 2.9146371 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.442465e-10 2.1451259e-10 8.845232e-11 ] [ 1.9701365e-10 1.113387e-10 2.9319892e-10 ] [ 2.0428733e-10 4.0554067e-10 2.1195845e-10 ] [ 3.7798758e-10 2.0217947e-10 6.471695e-11 ] [ 3.752789400000001e-10 2.6485993e-10 2.9146371e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6e-07 1.1e-06 5.1e-06 ] [ -2.46e-05 -3.6e-05 2.49e-05 ] [ -2.3e-05 4.55e-05 2.8e-06 ] [ 3.48e-05 -1.41e-05 -4.74e-05 ] [ 1.22e-05 3.4e-06 1.46e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.6130597248e-16 1.76239428288e-15 8.17110076608e-15 ] [ -3.941354487168e-14 -5.76783583488e-14 3.989419785791999e-14 ] [ -3.68500622784e-14 7.28990362464e-14 4.48609453824e-15 ] [ 5.575574640383999e-14 -2.259069035328e-14 -7.594317182591999e-14 ] [ 1.954655477376e-14 5.44740051072e-15 2.339177866368e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.7233245 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.397630656955185e-18 } }