{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8829044 2.1120652 -1.0782722 ] [ 1.1913832 -1.4362654 -0.8117552 ] [ 4.1029335 -0.2494014 1.3532988 ] [ 0.00918 -0.8438786 1.4480405 ] [ -0.0403654 0.8275103 -1.7371472 ] [ -1.8915721 -1.4262725 2.4693985 ] [ -0.935364 -0.7909895 -0.3563336 ] [ -4.3190997 1.8072319 -1.2872296 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.016745408881452e-09 3.383901485045276e-09 -1.727582509698582e-09 ] [ 1.90880630945389e-09 -2.30115084514396e-09 -1.300575203252828e-09 ] [ 6.573624130397117e-09 -3.995850922747891e-10 2.168223698316695e-09 ] [ 1.4707981378944e-11 -1.352042563713435e-09 2.320016635071542e-09 ] [ -6.467250016924032e-11 1.325817656131194e-09 -2.783216630728181e-09 ] [ -3.03063259517756e-09 -2.285140454389968e-09 3.956412544138589e-09 ] [ -1.498618332737971e-09 -1.267304884198282e-09 -5.709093631254988e-10 ] [ -6.919960562244293e-09 2.895504698543964e-09 -2.062369170721736e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.442597 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.678530029383622e-18 } }