{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2417846 0.1322237 -0.2469224 ] [ 0.2584459 -0.7368891 -0.2937792 ] [ -0.7291409 0.6647736 0.4515134 ] [ -1.2983812 1.6001169 -1.0131326 ] [ -0.2851103 -0.2962502 -0.1018579 ] [ 1.5293381 -0.9707819 -0.5023386 ] [ 0.1892418 -0.5973698 0.9284525 ] [ 0.5773913 0.2041767 0.7780648 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.873816365810363e-10 2.118457226010258e-10 -3.956132996912015e-10 ] [ 4.140759821331005e-10 -1.180626497869289e-09 -4.706861697952128e-10 ] [ -1.16821251287373e-09 1.065084728820062e-09 7.234042194178955e-10 ] [ -2.080236020664881e-09 2.563669908848514e-09 -1.623217378863668e-09 ] [ -4.567970607727301e-10 -4.746451482578267e-10 -1.631943473683086e-10 ] [ 2.450269769305955e-09 -1.555364076890124e-09 -8.048351672762723e-10 ] [ 3.031987901361011e-10 -9.57091935417253e-10 1.487544901278885e-09 ] [ 9.250828495348843e-10 3.271271379472278e-10 1.246597242297883e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.457109 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.841072818299111e-18 } }