{ "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" [ 5.52208 0 0 ] "si-unit" "m" "si-value" [ 5.52208e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0968577 5.45697 0 ] "si-unit" "m" "si-value" [ -9.68577e-12 5.456970000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.137264 0.147448 5.57607 ] "si-unit" "m" "si-value" [ 1.37264e-11 1.47448e-11 5.57607e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0138032 0.0341723 -0.113332 ] [ 1.31844 1.45238 1.31404 ] [ 0.0088982 2.79356 2.65987 ] [ 1.44046 4.10222 4.12461 ] [ 2.80067 0.127474 2.69388 ] [ 4.04292 1.57371 4.10996 ] [ 2.66616 2.79739 -0.110182 ] [ 4.02446 4.16186 1.2374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.38032e-12 3.41723e-12 -1.13332e-11 ] [ 1.31844e-10 1.45238e-10 1.31404e-10 ] [ 8.8982e-13 2.79356e-10 2.65987e-10 ] [ 1.44046e-10 4.10222e-10 4.12461e-10 ] [ 2.80067e-10 1.27474e-11 2.69388e-10 ] [ 4.04292e-10 1.57371e-10 4.10996e-10 ] [ 2.66616e-10 2.79739e-10 -1.10182e-11 ] [ 4.024460000000001e-10 4.16186e-10 1.2374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2116415 0.2297866 -0.2977997 ] [ 0.375624 -0.751812 -0.2101389 ] [ -0.8007923 0.849035 0.4712721 ] [ -1.4847233 1.791793 -1.0893403 ] [ -0.3215178 -0.357082 -0.1663839 ] [ 1.7326556 -1.1264025 -0.5457913 ] [ 0.1444921 -0.6975899 0.9807451 ] [ 0.5659031 0.0622719 0.857437 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.390870632910432e-10 3.681587182931213e-10 -4.771277170212538e-10 ] [ 6.018159910113793e-10 -1.20453560963689e-09 -3.366796327006291e-10 ] [ -1.28301070117666e-09 1.360304027240928e-09 7.550611406553198e-10 ] [ -2.378788959617025e-09 2.870768853913094e-09 -1.745315560755258e-09 ] [ -5.151283023310503e-10 -5.721084321085055e-10 -2.665763946575251e-10 ] [ 2.776020294218196e-09 -1.804695751110672e-09 -8.74454060696039e-10 ] [ 2.315018645102957e-10 -1.11766222868621e-09 1.571326870184158e-09 ] [ 9.066767164582445e-10 9.977058231279551e-11 1.37376551520889e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.235482 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.805564210381923e-18 } }