{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.48581e-10 0.0 0.0 ] "source-value" [ 5.48581 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.28581e-13 5.44331e-10 0.0 ] "source-value" [ 0.00228581 5.44331 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.06328e-12 -9.57916e-12 5.427310000000001e-10 ] "source-value" [ -0.0206328 -0.0957916 5.42731 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 6.619242104232846e-10 9.506641551469843e-10 -3.325891155700646e-10 ] [ -6.270706204320634e-10 1.353406656888384e-09 -1.680204705062567e-09 ] [ 3.238292148958407e-10 -7.944937514287872e-11 1.27400694922075e-09 ] [ -3.0409312262784e-13 -7.420102905552691e-10 -7.8090473020181e-10 ] [ 1.234199268900353e-09 9.57268487395584e-10 4.279941831571015e-09 ] [ -2.055250699995521e-09 4.913417473480051e-10 -1.09251959141132e-09 ] [ -6.469920845350906e-10 -1.226875399131352e-09 -1.477284069290723e-09 ] [ 1.109664803865825e-09 -1.70434614216712e-09 -1.904464090376199e-10 ] ] "source-value" [ [ 0.4131406 0.5933579 -0.2075858 ] [ -0.3913867 0.84473 -1.0487013 ] [ 0.2021183 -0.0495884 0.7951726 ] [ -0.0001898 -0.4631264 -0.4874024 ] [ 0.7703266 0.59748 2.6713296 ] [ -1.2827866 0.3066714 -0.6818971 ] [ -0.4038207 -0.7657554 -0.9220482 ] [ 0.6925983 -1.0637692 -0.1188673 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -5.845640000000001e-13 1.26862e-13 1.77865e-12 ] [ 1.36937e-10 1.35462e-10 1.37323e-10 ] [ -3.02415e-12 2.74811e-10 2.64947e-10 ] [ 1.37836e-10 4.07615e-10 4.081070000000001e-10 ] [ 2.65918e-10 -4.13914e-12 2.54007e-10 ] [ 4.19104e-10 1.29728e-10 4.08084e-10 ] [ 2.79028e-10 2.80414e-10 6.05432e-12 ] [ 4.08315e-10 4.18517e-10 1.33386e-10 ] ] "source-value" [ [ -0.00584564 0.00126862 0.0177865 ] [ 1.36937 1.35462 1.37323 ] [ -0.0302415 2.74811 2.64947 ] [ 1.37836 4.07615 4.08107 ] [ 2.65918 -0.0413914 2.54007 ] [ 4.19104 1.29728 4.08084 ] [ 2.79028 2.80414 0.0605432 ] [ 4.08315 4.18517 1.33386 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.362038963797429e-18 "source-value" -27.225706 } }