{ "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" [ 5.23298 0 0 ] "si-unit" "m" "si-value" [ 5.23298e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.924429 5.53043 0 ] "si-unit" "m" "si-value" [ -9.24429e-11 5.53043e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.629107 -0.473789 5.46851 ] "si-unit" "m" "si-value" [ -6.29107e-11 -4.73789e-11 5.46851e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.204863 0.0604192 -0.0594365 ] [ 1.57212 1.62558 1.26329 ] [ -0.456749 2.61396 2.82457 ] [ 0.563094 3.85296 4.15247 ] [ 2.57153 0.0726254 2.31215 ] [ 3.48703 1.34311 4.10214 ] [ 2.49706 2.93083 0.328276 ] [ 3.43659 4.115 1.72734 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04863e-11 6.04192e-12 -5.94365e-12 ] [ 1.57212e-10 1.62558e-10 1.26329e-10 ] [ -4.56749e-11 2.61396e-10 2.82457e-10 ] [ 5.63094e-11 3.85296e-10 4.15247e-10 ] [ 2.57153e-10 7.262540000000001e-12 2.31215e-10 ] [ 3.48703e-10 1.34311e-10 4.102140000000001e-10 ] [ 2.49706e-10 2.93083e-10 3.28276e-11 ] [ 3.43659e-10 4.115e-10 1.72734e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.7641468 1.0308088 -0.4650144 ] [ -28.5229059 -17.5132771 13.2072546 ] [ 0.7148498 -4.5927512 -7.5952545 ] [ 3.4865174 6.8315094 6.9535237 ] [ 5.2487792 -6.0344677 9.3201402 ] [ -2.559986 -3.0289467 3.1518337 ] [ 15.6433676 16.8549475 -25.8045903 ] [ 4.225231 6.4521771 1.232107 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.826474781905871e-09 1.651537773481579e-09 -7.450352061535296e-10 ] [ -4.569873336676074e-08 -2.805936335438728e-08 2.116035471940901e-08 ] [ 1.145315646379573e-09 -7.358398658415461e-09 -1.216893928918335e-08 ] [ 5.58601671231443e-09 1.094528473563136e-08 1.114077319610522e-08 ] [ 8.409471391265212e-09 -9.668283147567723e-09 1.493251085404409e-08 ] [ -4.101549752567123e-09 -4.852907628371407e-09 5.049794308393765e-09 ] [ 2.506343804579265e-08 2.700460305179672e-08 -4.134351162860304e-08 ] [ 6.769566381452453e-09 1.033752738804988e-08 1.974053045987838e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -23.583318 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.778464105179161e-18 } }