{ "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" [ [ 2.1578925 2.3872646 -0.8314885 ] [ 1.7094369 -2.1233403 -0.7835362 ] [ 3.3618852 0.425411 0.7840261 ] [ 0.1888789 -1.1220555 1.9354523 ] [ -0.3801435 1.3452527 -2.5583512 ] [ -1.8435855 -1.0007603 2.4751016 ] [ -1.3150166 -0.9502872 -0.5583768 ] [ -3.8793479 1.0385149 -0.4628272 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.457324913699664e-09 3.824819529783463e-09 -1.332191435164061e-09 ] [ 2.738819835912828e-09 -3.401966186662459e-09 -1.255363381190473e-09 ] [ 5.386333869253532e-09 6.815835584311488e-10 1.256148287517003e-09 ] [ 3.026173577424211e-10 -1.797731089340054e-09 3.100936425733588e-09 ] [ -6.090570282490848e-10 2.155332425008076e-09 -4.098930480435625e-09 ] [ -2.953749586545879e-09 -1.603394755684794e-09 3.965549917624673e-09 ] [ -2.106888852483906e-09 -1.522527934885494e-09 -8.946182545571174e-10 ] [ -6.215400509329577e-09 1.66388429313245e-09 -7.415309193103257e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.405863 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.672644593784775e-18 } }