{ "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" [ [ -0.1025645 -0.5528018 1.8547491 ] [ -0.5033585 1.3157759 -0.9347922 ] [ -0.0106643 -0.5209919 -1.8871756 ] [ 1.4695051 1.5486726 0.7300227 ] [ -1.9309446 -3.4343889 -1.3661159 ] [ 0.1021777 1.7640881 1.9457627 ] [ -0.2149008 -1.6955129 -0.692661 ] [ 1.1907499 1.5751589 0.3502103 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.643264440240416e-10 -8.856861198961575e-10 2.971635645469841e-09 ] [ -8.064692205809569e-10 2.108105385192079e-09 -1.497702208146198e-09 ] [ -1.708609213719744e-11 -8.347210418061714e-10 -3.023588625664212e-09 ] [ 2.354406715366366e-09 2.48124703299355e-09 1.169625302593292e-09 ] [ -3.093714294180007e-09 -5.50249760231503e-09 -2.188758956283151e-09 ] [ 1.637067221071162e-10 2.826380710851492e-09 3.117455507564684e-09 ] [ -3.443090375512166e-10 -2.716511128644808e-09 -1.109765260339949e-09 ] [ 1.907791650999938e-09 2.523682763625045e-09 5.610987550233542e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.21657 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.802534173956666e-18 } }