{ "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" [ 5.46847 0 0 ] "si-unit" "m" "si-value" [ 5.46847e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0752926 5.44594 0 ] "si-unit" "m" "si-value" [ 7.52926e-12 5.44594e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.00412544 0.201844 5.40303 ] "si-unit" "m" "si-value" [ 4.12544e-13 2.01844e-11 5.40303e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.00347607 -0.00350605 -0.096896 ] [ 1.33363 1.43287 1.45525 ] [ -0.0378093 2.6958 2.61111 ] [ 1.37012 4.12622 4.01894 ] [ 2.67267 0.0858706 2.76525 ] [ 3.9434 1.3374 3.96298 ] [ 2.74102 2.68949 -0.0467586 ] [ 4.13757 3.9786 1.32692 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.47607e-13 -3.50605e-13 -9.6896e-12 ] [ 1.33363e-10 1.43287e-10 1.45525e-10 ] [ -3.78093e-12 2.6958e-10 2.61111e-10 ] [ 1.37012e-10 4.12622e-10 4.01894e-10 ] [ 2.67267e-10 8.58706e-12 2.76525e-10 ] [ 3.9434e-10 1.3374e-10 3.96298e-10 ] [ 2.74102e-10 2.68949e-10 -4.67586e-12 ] [ 4.137570000000001e-10 3.9786e-10 1.32692e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.07303369999999998 -0.45778869999999994 1.2350774999999998 ] [ 0.8214444999999999 -1.2274531999999998 -2.4750959999999997 ] [ -0.43967039999999996 0.47491809999999995 2.6237014999999997 ] [ -1.0494551999999997 0.26319079999999995 -0.5917038999999998 ] [ -0.9155967999999999 -2.6329000999999996 -2.0642702999999996 ] [ 1.9080010999999997 2.4878691999999996 1.6222446999999998 ] [ 0.2823592999999999 -1.0563814999999999 0.6052125999999999 ] [ -0.6801161999999998 2.1485452999999994 -0.9551660999999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.170128866705209e-10 -7.334583524064249e-10 1.978812295376112e-09 ] [ 1.316099173184746e-09 -1.966596820166146e-09 -3.965540945435597e-09 ] [ -7.044296357377844e-10 7.609026766147565e-10 4.203633203257891e-09 ] [ -1.681412586016988e-09 4.216781465696486e-10 -9.480141550161808e-10 ] [ -1.466947787039293e-09 -4.218370985121981e-09 -3.307325613671802e-09 ] [ 3.056954754880683e-09 3.986005867848399e-09 2.59912253155671e-09 ] [ 4.523894691254533e-10 -1.692509741945635e-09 9.696574783335819e-10 ] [ -1.089666275067337e-09 3.442349048389722e-09 -1.530344794400715e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.061071 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.777620487720888e-18 } }