{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.372830000000001e-10 0.0 0.0 ] "source-value" [ 5.37283 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.56601e-11 5.36059e-10 0.0 ] "source-value" [ -0.256601 5.36059 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 4.33697e-12 -2.46629e-11 5.473760000000001e-10 ] "source-value" [ 0.0433697 -0.246629 5.47376 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.481281640008559e-09 3.535275292396123e-09 -3.481612629529695e-09 ] [ 1.488385230660922e-10 -1.550730729506112e-10 7.430536279707341e-10 ] [ 8.240157782789722e-10 2.161183413809576e-09 -1.847169933981066e-09 ] [ -1.442482550039678e-09 -2.222611986974682e-09 1.284423981173867e-09 ] [ 1.431544169814152e-09 9.906458318484001e-10 7.245649904196884e-10 ] [ -6.927276581347852e-10 -2.735596096334116e-09 -2.802370331794521e-10 ] [ -4.055491947457171e-10 1.290123724502363e-09 7.144166434858791e-10 ] [ -2.344920548029933e-09 -2.86394694607939e-09 2.142560353640045e-09 ] ] "source-value" [ [ 1.5486942 2.2065453 -2.1730517 ] [ 0.0928977 -0.096789 0.4637776 ] [ 0.5143102 1.3489046 -1.1529128 ] [ -0.9003268 -1.3872453 0.8016744 ] [ 0.8934996 0.6183125 0.4522379 ] [ -0.4323666 -1.7074248 -0.1749102 ] [ -0.2531239 0.8052319 0.4459038 ] [ -1.4635843 -1.7875351 1.337281 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.70324e-13 -2.80673e-13 1.44383e-11 ] [ 1.34461e-10 1.35881e-10 1.37149e-10 ] [ -2.21547e-12 2.59799e-10 2.84643e-10 ] [ 1.34697e-10 4.04373e-10 4.10747e-10 ] [ 2.75027e-10 9.09757e-13 2.6523e-10 ] [ 4.11164e-10 1.31842e-10 4.20835e-10 ] [ 2.66226e-10 2.78619e-10 -1.7694e-12 ] [ 3.99298e-10 4.09333e-10 1.38778e-10 ] ] "source-value" [ [ 0.00270324 -0.00280673 0.144383 ] [ 1.34461 1.35881 1.37149 ] [ -0.0221547 2.59799 2.84643 ] [ 1.34697 4.04373 4.10747 ] [ 2.75027 0.00909757 2.6523 ] [ 4.11164 1.31842 4.20835 ] [ 2.66226 2.78619 -0.017694 ] [ 3.99298 4.09333 1.38778 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.888507291864118e-18 "source-value" -36.753172 } }