{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.743053 2.538085 1.844122 ] [ 1.813323 2.641816 4.57084 ] [ 2.418782 4.209438 3.124504 ] [ 4.81693 2.098767 1.448798 ] [ 3.906107 2.029734 3.728536 ] [ 4.411251 4.516232 1.926861 ] [ 3.723923 4.053892 4.839487 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.743053e-10 2.538085e-10 1.844122e-10 ] [ 1.813323e-10 2.641816e-10 4.57084e-10 ] [ 2.418782e-10 4.209438e-10 3.124504e-10 ] [ 4.81693e-10 2.098767e-10 1.448798e-10 ] [ 3.906107e-10 2.029734e-10 3.728536e-10 ] [ 4.411251e-10 4.516232e-10 1.926861e-10 ] [ 3.723923e-10 4.053892e-10 4.839487000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.7540536 -4.7313018 -8.2224337 ] [ -3.3060088 -2.9510528 2.4373509 ] [ -4.5864942 7.8989261 -1.9764394 ] [ 4.5938295 -0.5734064 -1.1240175 ] [ 3.7189592 -3.0321735 1.1775606 ] [ 1.4225959 -0.6539714 0.2322102 ] [ 4.911172 4.0429799 7.4757688 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.082118686270358e-08 -7.58038119236214e-09 -1.317379114875416e-08 ] [ -5.296810051158379e-09 -4.728107841860274e-09 3.905066660838871e-09 ] [ -7.348373839216521e-09 1.265547483111275e-08 -3.166605025196979e-09 ] [ 7.360126285479903e-09 -9.186983358660574e-10 -1.800874574707095e-09 ] [ 5.958429533039332e-09 -4.858077531933999e-09 1.886660078439021e-09 ] [ 2.2792499106042e-09 -1.047777696384268e-09 3.720417566164668e-10 ] [ 7.868565023955046e-09 6.477567927511656e-09 1.197750209254622e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.669225 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.670704280188865e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4933394 2.4869507 1.8783449 ] [ 1.9286081 2.5458699 4.3270674 ] [ 2.0571762 4.6772365 3.0320587 ] [ 4.8531419 2.0193648 1.3430512 ] [ 4.302103 1.9579476 3.7443893 ] [ 4.4386442 4.221474 2.3690801 ] [ 3.7603563 4.1791206 4.7891564 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4933394e-10 2.4869507e-10 1.8783449e-10 ] [ 1.9286081e-10 2.5458699e-10 4.3270674e-10 ] [ 2.0571762e-10 4.6772365e-10 3.0320587e-10 ] [ 4.8531419e-10 2.0193648e-10 1.3430512e-10 ] [ 4.302103e-10 1.9579476e-10 3.7443893e-10 ] [ 4.4386442e-10 4.221474e-10 2.3690801e-10 ] [ 3.760356300000001e-10 4.1791206e-10 4.789156400000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.3e-06 -3.3e-06 -2.69e-05 ] [ 1.26e-05 -1.07e-05 2.51e-05 ] [ 2.07e-05 1.3e-05 -6.8e-06 ] [ -1.74e-05 -5e-07 1.7e-05 ] [ 1.49e-05 2.46e-05 -2.23e-05 ] [ -1.9e-06 -1.94e-05 1.92e-05 ] [ -2.46e-05 -3.7e-06 -5.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.8893595262e-15 -5.2871828922e-15 -4.309855145459999e-14 ] [ 2.01874255884e-14 -1.71432899838e-14 4.02146335134e-14 ] [ 3.316505632379999e-14 2.082829624199999e-14 -1.08948011112e-14 ] [ -2.78778734316e-14 -8.010883169999999e-16 2.723700277799999e-14 ] [ 2.38724318466e-14 3.94135451964e-14 -3.572853893819999e-14 ] [ -3.0441356046e-15 -3.10822266996e-14 3.076179137279999e-14 ] [ -3.94135451964e-14 -5.9280535458e-15 -8.4915361602e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.073267 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.536527262344328e-18 } }