{ "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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3.5472127 ] [ -0.8585325 -1.7318969 1.297055 ] [ 0.1300712 -1.6977916 -0.2430043 ] [ 3.1015628 2.4706109 -2.4014505 ] [ -0.5495211 1.153067 4.0536014 ] [ -0.7350052 1.6643068 0.0820002 ] [ 1.1769387 0.774161 -1.1866651 ] [ 0.3935775 -0.762582 0.8090163 ] [ 1.7034803 -0.9088735 1.166159 ] [ 6.0180716 -2.254516 1.0250748 ] [ 1.8572894 -2.0431574 -3.5149218 ] [ 1.3949797 0.1496387 2.4576838 ] [ 2.0038282 -0.0949692 1.9132579 ] [ 1.5000405 0.194602 -1.2020166 ] [ 1.5253598 -1.3077782 -1.593123 ] [ -2.496452 2.7852629 -0.0746148 ] [ -0.0977669 1.7876474 -0.2084581 ] [ 3.7254398 0.1727461 -2.5745667 ] [ -1.5357801 1.0786791 2.0198718 ] [ 0.6693461 0.2496688 1.8621661 ] [ 2.3862711 1.1269357 -1.7358103 ] [ -0.0399116 4.6373452 1.3904876 ] [ 0.9935332 -0.0886131 -0.7169732 ] [ 3.6528551 -1.2593014 1.3249163 ] [ 1.9998272 3.1542807 0.425772 ] [ 0.5413538 -0.1249852 -2.7983348 ] [ -0.4157138 0.2481976 0.1036142 ] [ 1.8154392 -0.1015838 1.7616143 ] [ 1.1602369 -0.6196515 1.846406 ] [ 2.6647991 0.8514169 -3.7964292 ] [ 0.8481846 1.0730411 -0.9206854 ] [ -0.1562434 -1.031493 2.9417207 ] [ 0.7501017 -0.3299889 2.1241378 ] [ 1.1796145 0.379605 -0.5680665 ] [ 2.1210918 -0.3966855 -3.6433389 ] [ -0.4566478 0.4005379 1.1479664 ] [ 1.5678328 -2.8745359 0.0216842 ] [ 1.0433643 -0.085124 -1.6117267 ] [ -0.6619703 1.1076281 1.0220867 ] [ -2.4673211 -0.2572187 -2.8060539 ] [ -4.1635815 0.8984061 0.3483787 ] [ -2.3390194 0.8809642 2.978702 ] [ 1.0534926 0.3976675 -0.4650241 ] [ -2.8939487 -1.6371933 -2.0351264 ] [ -4.3972666 -0.8162805 3.3719023 ] [ -3.5760325 1.9082619 0.850878 ] [ -1.8058706 0.182404 -1.5104322 ] [ -1.8560173 -3.2838414 -1.3426704 ] [ -4.1104563 -2.5028892 3.6974005 ] [ -4.2281743 -2.3403135 1.0779553 ] [ -1.0747005 -2.5608331 -4.5588034 ] [ -3.2165053 1.6702503 -0.0797947 ] [ -2.6791091 0.6220044 4.758037 ] [ -0.7334044 -1.6185876 -1.1401126 ] [ -1.8746452 0.8031166 -2.9560097 ] [ -1.9697034 -3.1085435 -1.4000083 ] [ 0.1570766 -2.0240952 -1.5479583 ] [ -3.5380931 -2.8310895 4.5047169 ] [ -2.5354376 -2.419413 -0.2486475 ] ] } "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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