{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.0411e-09 0.0 0.0 ] "source-value" [ 10.411 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.294380000000001e-10 9.210660000000001e-10 0.0 ] "source-value" [ -5.29438 9.21066 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.25117e-11 -6.75308e-12 1.02123e-09 ] "source-value" [ -0.225117 -0.0675308 10.2123 ] } "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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3.0761107 -3.1821805 0.743628 ] [ -0.4262064 -1.3503142 -1.6866126 ] [ 1.8089309 2.1639013 -4.5356554 ] [ -2.1606335 -0.6343102 5.2136344 ] [ 1.211035 -0.4129077 -0.3256019 ] [ 2.3290003 1.0569432 -0.3300007 ] [ -0.6496322 -1.1643543 2.423504 ] [ 0.3916517 -1.4566983 0.3359386 ] [ 13.1805017 0.1168453 2.0939583 ] [ 2.1959344 -2.7743576 -2.8680401 ] [ 0.5661751 -1.2097936 2.5324292 ] [ -0.9143822 0.2484203 1.4070021 ] [ -0.3623667 0.2639989 -0.9411018 ] [ 1.280522 -2.6486654 -2.0583094 ] [ -2.7882229 2.3263199 -0.3308068 ] [ -3.2169518 1.0334317 -0.1754742 ] [ 3.8860693 0.0574994 -4.9156112 ] [ -1.5749755 2.8380178 5.0549554 ] [ -2.1203643 0.9852199 1.7038919 ] [ 0.7134848 -1.8592126 -0.1424157 ] [ -1.1934692 5.0744304 2.0341027 ] [ 1.3349803 -0.6576716 -2.4967234 ] [ 2.9451104 -2.7075918 0.3747181 ] [ 1.3757654 3.7129356 0.2486683 ] [ 1.3928391 0.4155926 -4.5342904 ] [ -2.088022 0.2146131 3.6290313 ] [ 1.2514883 -0.1069466 3.9694131 ] [ 4.0935801 -0.0450298 -1.2213652 ] [ 3.8941707 -0.3800231 -3.8229244 ] [ 1.0951067 0.3748962 1.6325168 ] [ 0.698441 -1.7018833 4.9756224 ] [ 2.7908057 -1.1067836 0.4215851 ] [ -0.2462516 0.7460136 0.3311685 ] [ 0.8278594 0.3070978 -5.3455495 ] [ 1.3889708 0.2288412 1.68934 ] [ 2.8884435 -2.2081761 -1.2617748 ] [ 0.7090427 -0.8938826 -5.0636559 ] [ -0.8227343 0.7327851 4.0129884 ] [ -0.6658694 0.6077399 -7.2222237 ] [ -2.9081996 3.4164787 1.2686715 ] [ -0.3604796 1.781298 3.2088082 ] [ 1.0601262 0.4006437 2.0498376 ] [ -3.5553049 -3.576036 -2.8662938 ] [ -3.1955795 -2.0785664 2.5025959 ] [ -2.4510972 2.7591708 -1.0126392 ] [ -1.6969941 0.0181379 -1.5097325 ] [ -1.7639396 -1.6320474 -0.3942495 ] [ -2.8290478 -1.9024493 2.8603199 ] [ -6.6752003 -2.1845454 0.1184135 ] [ -0.2542209 -2.3144286 -2.3434881 ] [ -1.8792878 2.3253337 -0.2870883 ] [ -1.7279838 1.5174861 2.8313324 ] [ -0.4476305 0.0341474 0.4925719 ] [ -3.6774862 1.0879342 -2.270827 ] [ -1.6301834 -3.3333419 -2.6067986 ] [ -1.2257191 0.0688035 -9.044078 ] [ -11.1961055 -4.0470723 7.5179293 ] [ -1.7563702 -4.1254886 3.4465451 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.2644e-12 -3.48865e-11 2.6211699999999998e-11 ] [ 8.95591e-12 9.19407e-12 2.92005e-10 ] [ 1.32511e-11 8.77004e-12 5.197700000000001e-10 ] [ -3.87306e-11 -5.7964700000000005e-11 7.71063e-10 ] [ -1.39484e-10 2.2423000000000004e-10 4.30563e-11 ] [ -1.46759e-10 1.95149e-10 2.3731499999999997e-10 ] [ -1.49513e-10 2.2449900000000002e-10 4.89593e-10 ] [ -1.5148200000000002e-10 2.2679299999999997e-10 7.74871e-10 ] [ -2.60635e-10 4.58616e-10 4.85327e-11 ] [ -2.69256e-10 4.4806900000000003e-10 2.67269e-10 ] [ -2.7292700000000003e-10 4.56722e-10 5.31696e-10 ] [ -2.8942100000000003e-10 4.4410600000000005e-10 7.877640000000001e-10 ] [ -3.9457900000000004e-10 6.84436e-10 6.4104200000000005e-12 ] [ -4.08301e-10 6.85325e-10 2.63122e-10 ] [ -4.5189700000000004e-10 6.91495e-10 5.13935e-10 ] [ -4.0955500000000004e-10 6.92809e-10 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