{ "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" [ [ 2.3339229 2.2756469 -0.6875299 ] [ 1.9172579 -2.2138862 -0.6379939 ] [ 3.4120438 0.3903607 0.6720076 ] [ 0.1868455 -1.187052 1.8709612 ] [ -0.5363153 1.3789323 -2.8762255 ] [ -1.8856874 -0.7430993 2.3644181 ] [ -1.3823877 -0.9311873 -0.5846591 ] [ -4.0456797 1.030285 -0.1209786 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.739356735937518e-09 3.645988290414534e-09 -1.101544340956357e-09 ] [ 3.071785808731908e-09 -3.547036739975051e-09 -1.022178919214532e-09 ] [ 5.466696850544568e-09 6.254267923718838e-10 1.076674874590418e-09 ] [ 2.99359494268047e-10 -1.901866977742968e-09 2.997610317760601e-09 ] [ -8.592718421167002e-10 2.209293110927878e-09 -4.608221290214966e-09 ] [ -3.021204291308211e-09 -1.190576335201756e-09 3.788215432826675e-09 ] [ -2.214829272069002e-09 -1.491926533937548e-09 -9.367271488754693e-10 ] [ -6.48189348398813e-09 1.65069855336069e-09 -1.938290861340324e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -35.442846 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.678569970366036e-18 } }