{ "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" [ 5.43856 0 0 ] "si-unit" "m" "si-value" [ 5.43856e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00547847 5.34673 0 ] "si-unit" "m" "si-value" [ -5.47847e-13 5.34673e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698619 0.130192 5.52638 ] "si-unit" "m" "si-value" [ -6.986190000000001e-12 1.30192e-11 5.526379999999999e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0176967 -0.0436428 -0.0335652 ] [ 1.35227 1.24207 1.37266 ] [ -0.0530244 2.758 2.7242 ] [ 1.3158 4.14206 3.88387 ] [ 2.73162 0.0656859 2.694 ] [ 4.07939 1.42095 3.99542 ] [ 2.69114 2.74306 -0.00706676 ] [ 4.05369 4.20359 1.27338 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.76967e-12 -4.36428e-12 -3.35652e-12 ] [ 1.35227e-10 1.24207e-10 1.37266e-10 ] [ -5.30244e-12 2.758e-10 2.7242e-10 ] [ 1.3158e-10 4.14206e-10 3.88387e-10 ] [ 2.73162e-10 6.568590000000001e-12 2.694e-10 ] [ 4.07939e-10 1.42095e-10 3.99542e-10 ] [ 2.69114e-10 2.74306e-10 -7.06676e-13 ] [ 4.05369e-10 4.20359e-10 1.27338e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.9742381 1.2529358 -2.4962759 ] [ -0.8247389 2.6130596 -0.8573727 ] [ 0.43458 -0.2036644 -2.5183969 ] [ -0.4235404 -0.5698674 3.7008594 ] [ 0.7139621 0.4142404 -0.4475093 ] [ -1.2586792 0.553758 2.4729782 ] [ 0.2553847 -0.8626773 -1.3756146 ] [ -0.8712063 -3.1977847 1.5213317 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.163078153772555e-09 2.007424462662097e-09 -3.99947491899732e-09 ] [ -1.321377394730862e-09 4.186583034369386e-09 -1.373662506569492e-09 ] [ 6.962739216037199e-10 -3.263063428576295e-10 -4.034916668318034e-09 ] [ -6.785865324350134e-10 -9.130282327583315e-10 5.929430456399259e-09 ] [ 1.143893394181571e-09 6.636862897388135e-10 -7.169889439576962e-10 ] [ -2.016626403941813e-09 8.872181284905719e-10 3.962147888431378e-09 ] [ 4.091713990210998e-10 -1.382161412742208e-09 -2.203977569509256e-09 ] [ -1.395826377253594e-09 -5.123415926902699e-09 2.437442102303498e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.720575 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.723067061804454e-18 } }