{ "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" [ [ 2.273702 2.402034 1.908702 ] [ 1.908149 2.590409 4.360855 ] [ 2.360817 4.517724 2.766871 ] [ 3.26801 0.6931896 3.511788 ] [ 4.292326 2.985376 3.423625 ] [ 4.772846 4.542174 1.540942 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.273702e-10 2.402034e-10 1.908702e-10 ] [ 1.908149e-10 2.590409e-10 4.360855e-10 ] [ 2.360817e-10 4.517724e-10 2.766871e-10 ] [ 3.26801e-10 6.931896e-11 3.511788e-10 ] [ 4.292326e-10 2.985376e-10 3.423625e-10 ] [ 4.772846e-10 4.542174e-10 1.540942e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.187724 -1.8302401 -3.6850284 ] [ -0.8646629 1.0285464 2.8906935 ] [ 5.6624512 2.8419837 -2.2560332 ] [ 0.835268 -2.8671376 0.0727922 ] [ 0.3242374 1.7813256 -0.8959871 ] [ -5.7695697 -0.954478 3.873563 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.00767006441016e-10 -2.932367922829823e-09 -5.904066398106406e-09 ] [ -1.385342694666678e-09 1.647913009064817e-09 4.631401581755678e-09 ] [ 9.072247003805259e-09 4.553359878348865e-09 -3.614563678568249e-09 ] [ 1.338246872727912e-09 -4.593660869182838e-09 1.166259619774548e-10 ] [ 5.194855861489116e-10 2.85399825386603e-09 -1.435529595985421e-09 ] [ -9.24386976157439e-09 -1.529242349267052e-09 6.206132128926941e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.448917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.276277700800538e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1285427 2.0605006 1.9030325 ] [ 2.2346527 2.8898774 4.3445984 ] [ 2.3851479 4.4731167 2.4362956 ] [ 3.1091782 0.5886008 3.7243562 ] [ 4.3259348 2.7210292 2.947115 ] [ 4.6923936 4.997782 2.1573853 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1285427e-10 2.0605006e-10 1.9030325e-10 ] [ 2.2346527e-10 2.8898774e-10 4.3445984e-10 ] [ 2.3851479e-10 4.4731167e-10 2.4362956e-10 ] [ 3.1091782e-10 5.886008000000001e-11 3.7243562e-10 ] [ 4.3259348e-10 2.7210292e-10 2.947115e-10 ] [ 4.6923936e-10 4.997782e-10 2.1573853e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001268 3.45e-05 0.000148 ] [ 0.0001516 -3.11e-05 -0.000142 ] [ -1.94e-05 -8.84e-05 -1.22e-05 ] [ -0.0001031 0.0001399 -3.01e-05 ] [ -8.71e-05 -2.7e-06 -4.91e-05 ] [ -6.87e-05 -5.22e-05 8.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.031559971912e-13 5.527509387299999e-14 2.37122141832e-13 ] [ 2.428899777144e-13 -4.982769331739999e-14 -2.27509082028e-13 ] [ -3.10822266996e-14 -1.416324144456e-13 -1.95465549348e-14 ] [ -1.651844109654e-13 2.241445110966e-13 -4.82255166834e-14 ] [ -1.395495848214e-13 -4.3258769118e-15 -7.866687272939998e-14 ] [ -1.100695347558e-13 -8.36336202948e-14 1.36986102207e-13 ] ] } "relaxed-potential-energy" { "source-value" -21.686014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.474482491539687e-18 } }