{ "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" [ [ -0.0412658 -0.2220898 1.6842647 ] [ -0.5539272 0.9667149 -0.8668014 ] [ 0.0748896 -0.2210604 -1.5836306 ] [ 1.1829504 1.0989877 0.5174178 ] [ -1.5633823 -2.809433 -0.9713095 ] [ -0.0159748 1.3463722 1.555734 ] [ -0.0335699 -1.3270622 -0.6359772 ] [ 0.9502799 1.1675706 0.3003023 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.611509999860865e-11 -3.558270852781478e-10 2.698489525578725e-09 ] [ -8.874892094652057e-10 1.54884801175901e-09 -1.388768937956709e-09 ] [ 1.199863662610637e-10 -3.541778046646963e-10 -2.537255923303476e-09 ] [ 1.895295474446008e-09 1.760772399486764e-09 8.289947023457704e-10 ] [ -2.504814570432532e-09 -4.501207870304006e-09 -1.556209372460938e-09 ] [ -2.559445108195584e-11 2.157126061735062e-09 2.492560642983667e-09 ] [ -5.378490894259392e-11 -2.126188031187414e-09 -1.018947801201846e-09 ] [ 1.522516238996162e-09 1.870654318453428e-09 4.811373242324679e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.373687 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.827707092369688e-18 } }