{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03266e-09 0.0 0.0 ] "source-value" [ 10.3266 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.46418e-10 9.071630000000001e-10 0.0 ] "source-value" [ -5.46418 9.07163 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.00466e-11 -1.99298e-12 1.00183e-09 ] "source-value" [ -0.100466 -0.0199298 10.0183 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" 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0.5180185 ] [ 0.5016557 -0.1801772 0.2053608 ] [ 2.1152151 0.8020023 -9.3679585 ] [ 0.3591136 0.0909783 9.4610318 ] [ -0.4240881 0.2944874 -0.42859 ] [ 5.0649404 2.8116505 0.0188874 ] [ -1.0713063 1.6915796 -9.3823585 ] [ -0.2313906 -0.2229653 5.7063439 ] [ 0.1464757 0.6048113 -4.0551127 ] [ 0.0323785 0.3627025 5.2007444 ] [ -0.6592742 0.0196253 -5.2638386 ] [ 0.1544515 -0.3967991 11.9571783 ] [ -0.2094075 -0.363079 -3.2731719 ] [ 0.3628548 -0.1445501 3.9740192 ] [ -1.139865 0.0815699 -11.9620638 ] [ 0.4080067 1.5544846 0.2362961 ] [ -0.0655776 1.4483749 -0.0071788 ] [ 0.0746389 0.5927874 -0.209576 ] [ 0.094758 0.0499265 -0.994683 ] [ 0.8669823 -0.0330958 0.9000265 ] [ -0.1734038 -0.3203924 -0.1911979 ] [ 0.1903145 -2.5815901 -1.9508137 ] [ 0.0833941 -0.2249982 2.2459573 ] [ 0.8155843 0.1784249 6.2831116 ] [ -0.1807801 -0.950274 -1.9291345 ] [ -7.1069061 1.1813722 0.8410613 ] [ 1.0830406 0.010324099999999998 -6.4185149 ] [ 0.0182666 0.651967 0.8077012 ] [ 1.0881304 1.1964112 -0.4864197 ] [ -0.0875204 -0.04039 -0.2011487 ] [ -0.064722 0.1987875 -1.2934629 ] [ 0.1664824 0.3941976 5.2640581 ] [ -0.0836315 0.1613478 -0.4789709 ] [ -0.4332244 -0.3475379 0.4014747 ] [ 0.1463623 0.8910882 -4.8135532 ] [ -0.433412 -0.5095896 9.0364831 ] [ 0.6302491 -1.4977801 0.5585674 ] [ -0.4624403 0.2944043 -0.236943 ] [ -0.6474774 -0.2867879 -8.647511 ] [ 0.0588331 -1.0914635 -0.633621 ] [ -1.1715184 0.6724205 1.2623579 ] [ 7.374243 1.8481222 0.6033607 ] [ -0.3283121 -0.2964595 0.0383388 ] [ 0.0052108 0.170705 0.5831704 ] [ -1.2749301 0.6781794 -0.139368 ] [ -0.1752697 -1.127153 -7.9594346 ] [ -1.1446725 1.0686278 7.5720463 ] [ -0.8442891 -0.7173765 1.078394 ] [ -0.2762547 -2.0605741 -7.8658213 ] [ -0.0972907 -4.6644525 6.0150412 ] [ -2.3055905 -0.4224069 -1.2841776 ] [ 0.4331931 -0.4838069 0.601393 ] [ -0.3143147 -0.2194636 -0.9546864 ] [ -4.3467342 2.9684156 -1.8992401 ] [ -0.1414836 -0.1145592 2.7146819 ] [ -0.1129985 -1.4249903 18.8213073 ] [ 0.7921897 -0.3853285 -0.8783281 ] [ 0.5568477 -0.9447411 -0.5408205 ] [ -0.4013346 2.2836308 -18.863411 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.79513e-12 1.89385e-11 1.81226e-11 ] [ -5.714190000000001e-12 1.84695e-12 2.66513e-10 ] [ -9.26515e-12 -4.311220000000001e-12 4.80401e-10 ] [ -1.23731e-11 6.85428e-13 7.75749e-10 ] [ -1.38977e-10 2.19543e-10 -3.65932e-11 ] [ -1.3734900000000001e-10 2.27203e-10 2.5969699999999997e-10 ] [ -1.40342e-10 2.26383e-10 5.12911e-10 ] [ -1.50591e-10 2.32681e-10 7.790070000000001e-10 ] [ -2.4512600000000003e-10 4.36314e-10 -2.3005800000000002e-11 ] [ -2.62147e-10 4.44532e-10 2.61212e-10 ] [ -2.7461700000000006e-10 4.5467199999999996e-10 5.268360000000001e-10 ] [ -2.7987700000000005e-10 4.62104e-10 7.93943e-10 ] [ -4.02377e-10 6.860350000000001e-10 -3.5710599999999996e-11 ] [ -4.02656e-10 6.82079e-10 2.7766000000000005e-10 ] [ -3.87725e-10 6.73954e-10 4.85516e-10 ] [ -4.01886e-10 6.73891e-10 7.59605e-10 ] [ 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