{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.42631e-10 0.0 0.0 ] "source-value" [ 5.42631 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] "source-value" [ -0.0419811 5.40206 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] "source-value" [ -0.291495 -0.184222 5.7849 ] } "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" [ [ -2.83994746182344e-09 -3.102136456022567e-09 -3.424426139403481e-09 ] [ 1.401410592147807e-09 4.116600565951104e-10 8.116870772472148e-09 ] [ -6.402753435747755e-09 -1.159426230747668e-08 -1.092172575977021e-08 ] [ -7.817095035184378e-10 1.923571969191184e-09 1.708790596134985e-08 ] [ 5.325920114760041e-09 4.46088637194132e-09 -1.223588229380223e-08 ] [ 1.390009182878871e-09 2.329620722607266e-09 8.286236863056916e-09 ] [ 2.415087392484883e-09 1.355679344424989e-09 -6.540760123333606e-09 ] [ -5.080170413996295e-10 4.214980458957045e-09 -3.682191203517255e-10 ] ] "source-value" [ [ -1.7725558 -1.9362013 -2.1373587 ] [ 0.8746917 0.256938 5.0661523 ] [ -3.9962844 -7.2365694 -6.8168051 ] [ -0.4879047 1.2005992 10.6654321 ] [ 3.3241779 2.7842663 -7.6370371 ] [ 0.8675755 1.4540349 5.1718623 ] [ 1.507379 0.8461485 -4.0824214 ] [ -0.3170793 2.6307839 -0.2298243 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.502174143024011e-18 "source-value" -28.100361 } }