{ "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" [ [ 1.697876 3.711698 1.143091 ] [ 3.423522 2.241155 2.183353 ] [ 3.951754 3.941629 0.5726112 ] [ 3.96365 5.193256 2.218192 ] [ 5.084028 3.36384 3.521791 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.697876e-10 3.711698e-10 1.143091e-10 ] [ 3.423522e-10 2.241155e-10 2.183353e-10 ] [ 3.951754000000001e-10 3.941629e-10 5.726112e-11 ] [ 3.96365e-10 5.193256e-10 2.218192e-10 ] [ 5.084028e-10 3.36384e-10 3.521791e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -41.2841337 -0.9558568 1.3709927 ] [ -7.6411698 -39.8558901 12.0549819 ] [ 28.6142984 -27.720221 -98.4759001 ] [ 22.3013068 43.963289 82.0016219 ] [ -1.9903016 24.5686789 3.0483037 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.61444738241214e-08 -1.531451417792701e-09 2.196572451227468e-09 ] [ -1.224250360912301e-08 -6.385617531939418e-08 1.931421016434716e-08 ] [ 4.584515991707484e-08 -4.441269000960919e-08 -1.577757848524564e-07 ] [ 3.573063236824806e-08 7.043695380927382e-08 1.313810814758613e-07 ] [ -3.188814691860833e-09 3.936336293752225e-08 4.883920921238137e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 30.034103 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.811993765329915e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0300352 3.2292456 1.0489673 ] [ 3.5484621 1.7497316 2.1763849 ] [ 3.7929117 4.3483142 0.0915234 ] [ 4.978369 5.6650587 2.2762598 ] [ 4.771052 3.4592278 4.0459029 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0300352e-10 3.2292456e-10 1.0489673e-10 ] [ 3.5484621e-10 1.7497316e-10 2.1763849e-10 ] [ 3.7929117e-10 4.3483142e-10 9.15234e-12 ] [ 4.978369e-10 5.6650587e-10 2.2762598e-10 ] [ 4.771052e-10 3.4592278e-10 4.0459029e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.9e-06 -1.74e-05 -1.83e-05 ] [ -1.3e-06 -7.4e-06 3.9e-06 ] [ -3.87e-05 2.07e-05 7.2e-06 ] [ 3.85e-05 -1.52e-05 3.2e-06 ] [ -8.5e-06 1.92e-05 4.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.586154854592e-14 -2.787787320192e-14 -2.931983216064e-14 ] [ -2.08282960704e-15 -1.185610699392e-14 6.24848882112e-15 ] [ -6.200423522496e-14 3.316505605055999e-14 1.153567166976e-14 ] [ 6.16837999008e-14 -2.435308463616e-14 5.126965186560001e-15 ] [ -1.36185012768e-14 3.076179111936e-14 6.568924145279999e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.673165 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.870247205374083e-18 } }