{ "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" [ [ 1.825241 1.571351 1.750599 ] [ 0.5622357 3.903382 1.066374 ] [ 3.055372 3.197946 1.429481 ] [ 3.763641 1.041333 1.110804 ] [ 3.309317 1.461591 3.355414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.825241e-10 1.571351e-10 1.750599e-10 ] [ 5.622357e-11 3.903382e-10 1.066374e-10 ] [ 3.055372e-10 3.197946e-10 1.429481e-10 ] [ 3.763641e-10 1.041333e-10 1.110804e-10 ] [ 3.309317e-10 1.461591e-10 3.355414e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -15.9023191 -7.9862804 -0.6185001 ] [ -7.6643647 5.919759 -2.1608814 ] [ 7.1804613 15.0946761 -3.3277012 ] [ 11.5498462 -10.1321323 -9.6599371 ] [ 4.8363762 -2.8960225 15.7670198 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.54783238785213e-08 -1.279543174403327e-08 -9.90946400182462e-10 ] [ -1.227966593562481e-08 9.484499470570387e-09 -3.462113659401573e-09 ] [ 1.150436722141917e-08 2.418433714596852e-08 -5.331565063648105e-09 ] [ 1.850489355547572e-08 -1.623346548991253e-08 -1.547692538001855e-08 ] [ 7.748728877033545e-09 -4.639939542810768e-09 2.526155050325069e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 47.96973 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.685597991208838e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.0228288 -0.0447513 1.7006711 ] [ -1.0429915 5.2647669 0.6454312 ] [ 4.4311454 4.9893326 1.2036565 ] [ 5.1838557 -0.2972902 -0.1135549 ] [ 3.9666259 1.263545 5.276468 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.28288e-12 -4.47513e-12 1.7006711e-10 ] [ -1.0429915e-10 5.2647669e-10 6.454312e-11 ] [ 4.4311454e-10 4.9893326e-10 1.2036565e-10 ] [ 5.1838557e-10 -2.972902e-11 -1.135549e-11 ] [ 3.9666259e-10 1.263545e-10 5.276468e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ -0.0 0.0 0.0 ] [ 0.0 -0.0 -0.0 ] [ 0.0 0.0 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] ] } "relaxed-potential-energy" { "source-value" -8.8817842e-16 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.423018699623083e-34 } }