{ "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" [ [ 0.489786 0.6379758 2.385139 ] [ 2.264964 0.0865491 0.9234604 ] [ 2.944507 2.806058 0.1090737 ] [ 1.576252 2.005156 0.0788695 ] [ 2.792909 2.291732 2.895835 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.89786e-11 6.379758e-11 2.385139e-10 ] [ 2.264964e-10 8.654910000000001e-12 9.234604e-11 ] [ 2.944507e-10 2.806058e-10 1.090737e-11 ] [ 1.576252e-10 2.005156e-10 7.88695e-12 ] [ 2.792909e-10 2.291732e-10 2.895835e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9055174 0.6490388 0.5248795 ] [ 0.7387865 -2.8510799 1.4974806 ] [ 13.4522724 8.423168 1.2530198 ] [ -14.1343598 -5.3880632 -1.8227143 ] [ -0.9622165 -0.8330637 -1.4526655 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.450798808007602e-09 1.039874791352087e-09 8.409496636371937e-10 ] [ 1.183666458062659e-09 -4.567933559812802e-09 2.399228407421557e-09 ] [ 2.155291633591311e-08 1.34954028426707e-08 2.007559028959492e-09 ] [ -2.264574082153536e-08 -8.632628890432835e-09 -2.920310237857838e-09 ] [ -1.541640780448003e-09 -1.334715183777145e-09 -2.327426701942742e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -5.6559466 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.06182541101325e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.5929199 1.104219 2.2617203 ] [ 2.6752514 0.1687198 0.9432428 ] [ 3.1036684 2.7251486 0.4628459 ] [ 0.882096 1.8045413 -0.0855184 ] [ 2.8144822 2.0248421 2.810087 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.929199000000001e-11 1.104219e-10 2.2617203e-10 ] [ 2.6752514e-10 1.687198e-11 9.432428e-11 ] [ 3.1036684e-10 2.7251486e-10 4.628459e-11 ] [ 8.82096e-11 1.8045413e-10 -8.55184e-12 ] [ 2.8144822e-10 2.0248421e-10 2.810087e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.18e-05 -2e-07 8e-07 ] [ 5.4e-06 -5.2e-06 -1.9e-06 ] [ -2.8e-06 1.5e-06 -1.4e-06 ] [ -9e-07 1.3e-06 -3.9e-06 ] [ 1.02e-05 2.7e-06 6.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.890568412544e-14 -3.2043532416e-16 1.28174129664e-15 ] [ 8.65175375232e-15 -8.33131842816e-15 -3.04413557952e-15 ] [ -4.48609453824e-15 2.4032649312e-15 -2.24304726912e-15 ] [ -1.44195895872e-15 2.08282960704e-15 -6.24848882112e-15 ] [ 1.634220153216e-14 4.32587687616e-15 1.025393037312e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.901027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.906754722290956e-18 } }