{ "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" [ [ 1.097689 0.3905239 0.41263 ] [ 0.032965 0.0756626 2.808384 ] [ 2.827906 0.6568563 1.349893 ] [ 2.515385 2.187975 0.7174512 ] [ 1.727021 2.867394 2.060494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.097689e-10 3.905239e-11 4.1263e-11 ] [ 3.2965e-12 7.56626e-12 2.808384e-10 ] [ 2.827906e-10 6.568562999999999e-11 1.349893e-10 ] [ 2.515385e-10 2.187975e-10 7.174512e-11 ] [ 1.727021e-10 2.867394e-10 2.060494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.994577 -20.6985031 -12.1860827 ] [ -1.3128604 -0.1878534 -0.5521599 ] [ 23.2818649 -34.5343709 11.9758975 ] [ 13.4231095 25.057644 -28.8523601 ] [ -14.3975369 30.3630833 29.6147052 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36370204329854e-08 -3.316265775237632e-08 -1.952425680107534e-08 ] [ -2.103434239254137e-09 -3.009743256177907e-10 -8.84657682723266e-10 ] [ 3.730165963140413e-08 -5.533016167001586e-08 1.918750298759717e-08 ] [ 2.150619221933838e-08 4.01467713891294e-08 -4.622657680712274e-08 ] [ -2.306739701828531e-08 4.864702219866291e-08 4.744798830332419e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.223411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.240147629702955e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8363198 -0.427157 0.7068826 ] [ -0.2601618 0.1060819 2.7177871 ] [ 3.060153 0.3317723 0.8014842 ] [ 3.0865307 2.6832934 0.8028014 ] [ 1.4781244 3.4844212 2.3198969 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.363197999999999e-11 -4.27157e-11 7.068826000000001e-11 ] [ -2.601618e-11 1.060819e-11 2.7177871e-10 ] [ 3.060153e-10 3.317723000000001e-11 8.014842e-11 ] [ 3.0865307e-10 2.683293400000001e-10 8.028014e-11 ] [ 1.4781244e-10 3.4844212e-10 2.3198969e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 9.7e-06 -1.25e-05 -7.7e-06 ] [ 4.9e-06 2.7e-06 2.6e-06 ] [ -2.35e-05 9e-07 1.9e-06 ] [ 4.1e-06 7.2e-06 7.6e-06 ] [ 4.8e-06 1.7e-06 -4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.554111322176e-14 -2.002720776e-14 -1.233675998016e-14 ] [ 7.850665441919999e-15 4.32587687616e-15 4.16565921408e-15 ] [ -3.76511505888e-14 1.44195895872e-15 3.04413557952e-15 ] [ 6.568924145279999e-15 1.153567166976e-14 1.217654231808e-14 ] [ 7.69044777984e-15 2.72370025536e-15 -7.2097947936e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.2599996 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.483615486773735e-18 } }