{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47211e-10 0.0 0.0 ] "source-value" [ 5.47211 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] "source-value" [ 0.102197 5.35978 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] "source-value" [ 0.0185088 0.0167086 5.27242 ] } "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" [ [ -2.098984193689865e-09 -1.512545573449599e-09 -1.705968345995679e-09 ] [ 3.50706288471578e-09 1.853012591464138e-09 2.186800295364223e-09 ] [ -1.982458528929729e-09 2.858637332758059e-09 -2.796663859324219e-09 ] [ -9.006746424014035e-10 2.991193255262285e-10 8.596555563380198e-10 ] [ -1.664622415901653e-09 -1.382720560995527e-09 -4.707157260759812e-09 ] [ 3.308732484962527e-09 -7.30981066915344e-10 -1.558398586595599e-09 ] [ -1.57597718782603e-09 6.847850277548313e-10 5.482373142434148e-09 ] [ 1.406921599070373e-09 -2.06930739657811e-09 2.239358898321256e-09 ] ] "source-value" [ [ -1.3100829 -0.9440567 -1.0647817 ] [ 2.1889365 1.1565595 1.3648934 ] [ -1.2373533 1.7842211 -1.7455403 ] [ -0.5621569 0.1866956 0.5365548 ] [ -1.0389756 -0.8630263 -2.9379765 ] [ 2.0651484 -0.4562425 -0.9726759 ] [ -0.9836476 0.4274092 3.4218282 ] [ 0.8781314 -1.2915601 1.3976979 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.335840311743048e-18 "source-value" -33.303696 } }