{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.41852 0 0 ] "si-unit" "m" "si-value" [ 5.418520000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038783 5.47951 0 ] "si-unit" "m" "si-value" [ 3.8783e-12 5.479510000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00323821 0.0198894 5.39896 ] "si-unit" "m" "si-value" [ 3.23821e-13 1.98894e-12 5.39896e-10 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2350044 -0.4560417 2.0226001 ] [ -0.682913 1.0867837 -0.9299018 ] [ 0.0696971 -0.4110287 -1.6600126 ] [ 1.4494078 1.413609 0.1434794 ] [ -1.4391724 -2.8946593 -0.5173884 ] [ -0.4289896 1.4584333 1.5250272 ] [ 0.0187467 -1.7118423 -0.7092368 ] [ 1.2482277 1.514746 0.125433 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.765185554651316e-10 -7.306593498498874e-10 3.240562593447742e-09 ] [ -1.094147242640391e-09 1.741219436006521e-09 -1.489866923599838e-09 ] [ 1.116670641575597e-10 -6.58540573617817e-10 -2.659633377953422e-09 ] [ 2.322207291165162e-09 2.264851290752467e-09 2.298793402464115e-10 ] [ -2.305808372580626e-09 -4.637755455641293e-09 -8.289475983531186e-10 ] [ -6.873171076863437e-10 2.336667736256193e-09 2.443362925924085e-09 ] [ 3.003552445715136e-11 -2.7426737115565e-09 -1.136322619571005e-09 ] [ 1.999881238374956e-09 2.426890627650316e-09 2.009658200768064e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.455025 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.840738876567952e-18 } }