{ "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" [ [ 0.2482594 0.208506 0.7144033 ] [ 0.1842271 0.5542422 2.415306 ] [ 0.3347056 2.949491 0.3757933 ] [ 2.042519 0.2544893 1.784175 ] [ 2.203059 1.053322 2.694572 ] [ 1.978392 2.822156 1.26577 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.482594e-11 2.08506e-11 7.144033e-11 ] [ 1.842271e-11 5.542422e-11 2.415306e-10 ] [ 3.347056e-11 2.949491e-10 3.757933e-11 ] [ 2.042519e-10 2.544893e-11 1.784175e-10 ] [ 2.203059e-10 1.053322e-10 2.694572e-10 ] [ 1.978392e-10 2.822156e-10 1.26577e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.8782725 -3.3480945 -22.222791 ] [ -16.7876558 3.4587933 19.5772643 ] [ -9.0937948 -1.3810339 -4.3137414 ] [ 7.6343943 -43.0182763 -44.8869391 ] [ 15.222391 41.2413776 47.891697 ] [ 9.9029377 3.0472337 3.9545102 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.102020739099157e-08 -5.364238732129066e-09 -3.560483618912465e-08 ] [ -2.689678964079752e-08 5.541597761439681e-09 3.136623516068248e-08 ] [ -1.456986542291261e-08 -2.212660227112245e-09 -6.91137561925706e-09 ] [ 1.223164806142878e-08 -6.892287655497473e-08 -7.191680440529339e-08 ] [ 2.438895897287633e-08 6.607597100030482e-08 7.67309572638375e-08 ] [ 1.586625526017892e-08 4.882206592253881e-09 6.335823789155132e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 17.212235 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.757704050871549e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2299574 0.1279248 0.5076508 ] [ -0.285693 1.1211733 2.6346227 ] [ 0.0783471 2.5177736 0.7127929 ] [ 2.5452705 0.2307457 1.0209464 ] [ 2.0296201 1.2239943 3.1479181 ] [ 2.3936601 2.6205948 1.2260888 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.299574e-11 1.279248e-11 5.076508e-11 ] [ -2.85693e-11 1.1211733e-10 2.6346227e-10 ] [ 7.83471e-12 2.5177736e-10 7.127929e-11 ] [ 2.5452705e-10 2.307457e-11 1.0209464e-10 ] [ 2.0296201e-10 1.2239943e-10 3.1479181e-10 ] [ 2.3936601e-10 2.6205948e-10 1.2260888e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9e-07 -8e-07 -4e-07 ] [ -7e-07 -2e-07 -3e-07 ] [ -7e-07 7e-07 0.0 ] [ 7e-07 5e-07 2e-07 ] [ 7e-07 -3e-07 1.2e-06 ] [ 1e-06 1e-07 -7e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.44195895872e-15 -1.28174129664e-15 -6.408706483200001e-16 ] [ -1.12152363456e-15 -3.2043532416e-16 -4.8065298624e-16 ] [ -1.12152363456e-15 1.12152363456e-15 0.0 ] [ 1.12152363456e-15 8.010883104e-16 3.2043532416e-16 ] [ 1.12152363456e-15 -4.8065298624e-16 1.92261194496e-15 ] [ 1.6021766208e-15 1.6021766208e-16 -1.12152363456e-15 ] ] } "relaxed-potential-energy" { "source-value" -17.513765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.806014482518531e-18 } }