{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] "source-value" [ 5.41852 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] "source-value" [ 0.038783 5.47951 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] "source-value" [ 0.00323821 0.0198894 5.39896 ] } "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" [ [ -4.937716084111104e-11 -3.998837379969062e-10 2.083887364045052e-09 ] [ -5.796125467473466e-10 1.383813565886237e-09 -1.094413203959443e-09 ] [ 4.37442282777024e-11 -3.484641223995994e-10 -2.238777949078554e-09 ] [ 1.485760064267741e-09 1.493821576152958e-09 1.124112111108564e-09 ] [ -2.058502637882759e-09 -3.715559735998656e-09 -1.718797454851411e-09 ] [ 1.214310489200391e-10 1.648098847976018e-09 2.067501903744131e-09 ] [ -2.306841135630393e-10 -1.590664661344228e-09 -5.968151171248762e-10 ] [ 1.267240957351112e-09 1.528838427941839e-09 3.733025063341997e-10 ] ] "source-value" [ [ -0.0308188 -0.2495878 1.3006602 ] [ -0.3617657 0.8637085 -0.683079 ] [ 0.027303 -0.2174942 -1.3973353 ] [ 0.9273385 0.9323701 0.7016156 ] [ -1.2848163 -2.31907 -1.072789 ] [ 0.0757913 1.0286624 1.2904332 ] [ -0.1439817 -0.9928148 -0.3725027 ] [ 0.7909496 0.9542259 0.2329971 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.36142e-12 -2.97439e-12 -1.41562e-11 ] [ 1.34075e-10 1.30471e-10 1.3715e-10 ] [ -2.80615e-12 2.73239e-10 2.73273e-10 ] [ 1.33689e-10 4.08129e-10 3.93514e-10 ] [ 2.80172e-10 1.57681e-11 2.72105e-10 ] [ 4.07194e-10 1.39009e-10 4.01929e-10 ] [ 2.65272e-10 2.79754e-10 1.44035e-12 ] [ 4.02421e-10 4.072440000000001e-10 1.32124e-10 ] ] "source-value" [ [ -0.0136142 -0.0297439 -0.141562 ] [ 1.34075 1.30471 1.3715 ] [ -0.0280615 2.73239 2.73273 ] [ 1.33689 4.08129 3.93514 ] [ 2.80172 0.157681 2.72105 ] [ 4.07194 1.39009 4.01929 ] [ 2.65272 2.79754 0.0144035 ] [ 4.02421 4.07244 1.32124 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.844040642148098e-18 "source-value" -36.475633 } }