{ "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" [ [ 4.6845362 4.9389705 -3.3907272 ] [ 1.7566674 -2.5643794 -1.1744067 ] [ 12.3653721 -1.4739059 3.7065462 ] [ -1.8806116 -3.3125315 2.6123081 ] [ 1.4219918 1.6317792 -4.6601089 ] [ -4.9535614 -3.8417557 6.6189383 ] [ -0.8904614 -0.8457187 -0.703764 ] [ -12.503933 5.4675415 -3.0087858 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.505454440767149e-09 7.913103131115296e-09 -5.432543892108244e-09 ] [ 2.814491461989531e-09 -4.10858875539094e-09 -1.881606973553048e-09 ] [ 1.981151024933551e-08 -2.36145759369474e-09 5.93854171448149e-09 ] [ -3.013071963149354e-09 -5.307260568688971e-09 4.185378998628935e-09 ] [ 2.278282035699601e-09 2.614398506087213e-09 -7.466317591475441e-09 ] [ -7.936480330164327e-09 -6.155171216076313e-09 1.060470828614768e-08 ] [ -1.426676448558927e-09 -1.354990740076856e-09 -1.127554236650376e-09 ] [ -2.003350928570152e-08 8.759967236725312e-09 -4.820606305470997e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -33.404945 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.352062233905512e-18 } }