{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.43182e-10 0.0 0.0 ] "source-value" [ 5.43182 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.36542e-13 5.42411e-10 0.0 ] "source-value" [ -0.00436542 5.42411 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.50705e-11 -1.3062e-12 5.36378e-10 ] "source-value" [ 0.250705 -0.013062 5.36378 ] } "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" [ [ -4.255635530492183e-09 2.169083906944403e-09 1.085479627339525e-09 ] [ -4.030792632453256e-09 -4.912790541768333e-09 6.713262795088913e-09 ] [ 2.731431879078994e-09 3.729808213122755e-09 -4.751047927980654e-09 ] [ 3.587384324593359e-09 -2.743725220072731e-09 -2.476390995873567e-09 ] [ -6.601563687398938e-10 4.954317838255833e-10 2.156294211633542e-10 ] [ -4.040364035585916e-09 -4.095444144108765e-09 4.715108542893517e-09 ] [ -5.400546457621325e-10 -4.296941566388353e-11 -1.117085573276852e-08 ] [ 7.208187009361027e-09 5.400605577938632e-09 5.668814270137428e-09 ] ] "source-value" [ [ -2.6561588 1.3538357 0.6775031 ] [ -2.5158229 -3.0663227 4.1900891 ] [ 1.7048257 2.3279632 -2.9653709 ] [ 2.2390692 -1.7124986 -1.5456417 ] [ -0.4120372 0.3092242 0.1345853 ] [ -2.5217969 -2.5561752 2.9429393 ] [ -0.3370756 -0.0268194 -6.9722998 ] [ 4.4989965 3.3707929 3.5381956 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.36868e-13 -3.47308e-12 7.395090000000001e-12 ] [ 1.33721e-10 1.36002e-10 1.29514e-10 ] [ 8.04819e-12 2.71297e-10 2.74807e-10 ] [ 1.4297e-10 4.00589e-10 4.14244e-10 ] [ 2.76212e-10 -4.29027e-12 2.66501e-10 ] [ 4.31635e-10 1.33651e-10 3.99144e-10 ] [ 2.62716e-10 2.67896e-10 1.44482e-11 ] [ 3.97118e-10 3.97277e-10 1.25678e-10 ] ] "source-value" [ [ 0.00336868 -0.0347308 0.0739509 ] [ 1.33721 1.36002 1.29514 ] [ 0.0804819 2.71297 2.74807 ] [ 1.4297 4.00589 4.14244 ] [ 2.76212 -0.0429027 2.66501 ] [ 4.31635 1.33651 3.99144 ] [ 2.62716 2.67896 0.144482 ] [ 3.97118 3.97277 1.25678 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.014767273788725e-17 "source-value" -63.336792 } }