{ "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" [ [ 1.9549814 2.0090014 -1.0853357 ] [ 1.3641761 -1.47591 -0.8918428 ] [ 3.45223 0.1192319 0.8225333 ] [ 0.192438 -0.5882204 1.5693798 ] [ -0.1393196 0.7812509 -1.6532884 ] [ -1.8460529 -1.229986 2.3108228 ] [ -1.1204043 -0.9674408 -0.407033 ] [ -3.8580487 1.3520731 -0.665236 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.132225518984607e-09 3.218775100753287e-09 -1.738899498586033e-09 ] [ 2.185651072081247e-09 -2.36466851588694e-09 -1.428889695361135e-09 ] [ 5.53108224119382e-09 1.910305642074246e-10 1.317843633946912e-09 ] [ 3.083196670936919e-10 -9.424329805221334e-10 2.514423645431593e-09 ] [ -2.232146077782264e-10 1.25170193727147e-09 -2.648860043743245e-09 ] [ -2.957702821507938e-09 -1.970654829347124e-09 3.702346295474455e-09 ] [ -1.795085590093126e-09 -1.550011044538267e-09 -6.521387618669219e-10 ] [ -6.181275479974075e-09 2.166259928279945e-09 -1.065825575295624e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.471499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.683160687075436e-18 } }