{ "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" [ [ 1.3986853 0.8521677 -1.7038795 ] [ -0.5891422 1.5660298 -0.6016722 ] [ 0.3081031 -0.1723019 -1.7123432 ] [ -0.3301262 -0.182626 2.4860427 ] [ 0.4858593 0.2896414 -0.1175688 ] [ -0.9451282 0.5000866 1.8322491 ] [ 0.213646 -0.7298544 -1.0103937 ] [ -0.5418971 -2.1231432 0.8275655 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.240940887516634e-09 1.365323165940908e-09 -2.729915899560394e-09 ] [ -9.439098591666777e-10 2.5090563330361e-09 -9.639851322253017e-10 ] [ 4.936355836160046e-10 -2.760580758994195e-10 -2.743476241825859e-09 ] [ -5.289204795535449e-10 -2.925991075502208e-10 3.983079492250508e-09 ] [ 7.784324114582535e-10 4.640566794957811e-10 -1.88365982695511e-10 ] [ -1.514262305698787e-09 8.012270588953614e-10 2.935586671501842e-09 ] [ 3.422986263274368e-10 -1.169355656268012e-09 -1.618829163943609e-09 ] [ -8.682148644993197e-10 -3.401650397650498e-09 1.325906096280662e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.959446 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.761338367812008e-18 } }