{ "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" [ [ 2.432307907240565e-09 3.46151412491007e-09 -5.025016124695903e-09 ] [ 7.212572967860467e-10 1.037401190867234e-09 5.921585509941831e-10 ] [ 4.935410551953772e-10 1.987114133754449e-09 -1.897866166834082e-09 ] [ -8.783205935350158e-10 -1.505827967313909e-09 1.3935932519796e-09 ] [ 1.232167548727517e-09 9.687658670441069e-10 8.039632561283635e-10 ] [ -5.710846412478144e-11 -3.132668815449829e-09 -2.854865648775034e-10 ] [ -1.684276316509006e-09 1.10590321359551e-09 6.783904204258944e-10 ] [ -2.259568433780704e-09 -3.922201587189971e-09 3.740263376879447e-09 ] ] "source-value" [ [ 1.5181272 2.1605072 -3.1363684 ] [ 0.4501734 0.6474949 0.3695963 ] [ 0.3080441 1.2402591 -1.1845549 ] [ -0.5482046 -0.9398639 0.8698125 ] [ 0.7690585 0.6046561 0.5017944 ] [ -0.0356443 -1.9552581 -0.1781867 ] [ -1.0512426 0.6902505 0.423418 ] [ -1.4103117 -2.4480457 2.3344888 ] ] } "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" -5.789528345019659e-18 "source-value" -36.135394 } }