{ "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" [ [ -0.5704066 -1.2856772 6.9257813 ] [ -4.7880051 5.145461 -4.0088975 ] [ -2.1691048 -3.8079153 -9.4116489 ] [ 8.9643319 6.8853519 1.0772239 ] [ -9.8076852 -19.1993047 -8.0541667 ] [ 4.3563942 13.857113 14.5265432 ] [ -2.6772247 -9.2764294 -6.0824088 ] [ 6.6917003 7.6814007 5.0275734 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.138921188700173e-10 -2.059881951735606e-09 1.109632487963383e-08 ] [ -7.671229831491166e-09 8.243937317438189e-09 -6.422961849683568e-09 ] [ -3.47528899862506e-09 -6.100952867646618e-09 -1.507912383075803e-08 ] [ 1.436244299127164e-08 1.103154984016086e-08 1.725902947946997e-09 ] [ -1.571364393160617e-08 -3.076067712595556e-08 -1.290419758676589e-08 ] [ 6.97971293822872e-09 2.220154248038375e-08 2.327408789608122e-08 ] [ -4.289386822968294e-09 -1.486247830918177e-08 -9.745093177508182e-09 ] [ 1.072128577406035e-08 1.230696061653675e-08 8.055060560835965e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.414057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.353522093147859e-18 } }