{ "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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7.6657403 ] [ 0.7828485 -1.7482914 1.6318451 ] [ -0.7702799 -0.0648893 -0.3176765 ] [ 0.9593109 1.5080566 -3.2205768 ] [ -1.216791 -0.6917048 3.085955 ] [ 0.5744583 -0.4315276 -0.0622439 ] [ 1.6343476 0.4380589 0.1409033 ] [ -0.4223531 -0.6571267 1.5951499 ] [ 0.3644402 -0.6130734 -0.088463 ] [ 4.2944363 -0.0157927 0.8208652 ] [ 0.7511686 -1.4587918 -2.07012 ] [ 0.2820749 -0.666343 1.623037 ] [ -0.4814162 0.3590209 0.6577055 ] [ 0.0251225 0.8170105 -0.4014852 ] [ 0.7637325 -1.8163192 -1.6961788 ] [ -1.350761 1.4945247 0.906605 ] [ -0.899533 0.4818731 -0.088642 ] [ 2.5653891 -0.2276067 -2.6393802 ] [ -0.4865157 1.5689946 3.2473503 ] [ -0.6981521 0.4626981 1.3468307 ] [ 0.9173632 -0.5203117 -1.0113647 ] [ -0.7866366 2.1921757 0.6538069 ] [ 0.6760226 -0.3357138 -1.2148922 ] [ 1.3788485 -1.0830421 0.5448043 ] [ 0.4792803 2.2049791 -0.310245 ] [ 0.9019655 0.6710754 -2.8455955 ] [ -1.1710369 0.0890219 2.607826 ] [ -0.0959209 -0.3897127 2.0220978 ] [ 1.5348498 0.1885527 -0.4701299 ] [ 1.0126554 -0.30116 -1.8477414 ] [ 0.3627205 -0.1647723 0.6561341 ] [ -0.0234984 -0.8336263 2.6548166 ] [ 1.513106 -0.6487894 0.0788909 ] [ -0.4443394 0.558444 0.3624007 ] [ 0.7548833 0.2490529 -3.1726333 ] [ 0.664385 -0.0016686 0.6389403 ] [ 1.0202691 -1.8635299 -0.9359927 ] [ 0.3790682 -0.9947738 -2.7767989 ] [ -0.6723139 0.2721073 2.4316469 ] [ 0.3633045 0.068434 -3.2140934 ] [ -1.3587843 1.432171 0.9131981 ] [ -1.1493954 1.1458298 2.0090912 ] [ 0.8945482 0.2339915 0.4417471 ] [ -1.3101605 -1.459611 -0.4487588 ] [ -1.5934124 -1.0482114 1.7494437 ] [ -0.923332 1.6675134 -0.8342025 ] [ -0.8423131 0.0165847 -1.0732486 ] [ -0.5994253 -1.0216812 0.5028937 ] [ -1.7061901 -0.6944826 1.6937347 ] [ -2.6429879 -0.3052244 0.3486968 ] [ 0.3744363 -0.7918409 -1.974629 ] [ -0.9807881 1.087549 0.115713 ] [ 0.322643 -0.0161212 1.0840975 ] [ -0.1984403 -1.3165921 0.5344941 ] [ -2.0859913 1.1137289 -2.0875991 ] [ -1.053663 -1.7963812 -1.9248647 ] [ -0.2056958 0.6338595 -4.2128938 ] [ -3.2867338 -0.9597183 4.509941 ] [ -1.1347763 -2.1414462 1.3884433 ] ] } "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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] [ 6.69999e-10 2.26023e-10 5.12355e-10 ] [ 6.341090000000001e-10 2.1461600000000002e-10 8.049659999999999e-10 ] [ 5.266060000000001e-10 4.55868e-10 3.09546e-11 ] [ 5.143449999999999e-10 4.38936e-10 2.5667900000000003e-10 ] [ 5.15982e-10 4.46608e-10 5.656850000000001e-10 ] [ 5.170079999999999e-10 4.33331e-10 8.20244e-10 ] [ 3.9388100000000005e-10 6.94156e-10 7.84897e-11 ] [ 3.7350300000000003e-10 7.06085e-10 3.1692800000000005e-10 ] [ 3.88909e-10 6.7996e-10 5.18682e-10 ] [ 3.70294e-10 6.72284e-10 8.16498e-10 ] ] "source-value" [ [ 0.032644 -0.348865 0.262117 ] [ 0.0895591 0.0919407 2.92005 ] [ 0.132511 0.0877004 5.1977 ] [ -0.387306 -0.579647 7.71063 ] [ -1.39484 2.2423 0.430563 ] [ -1.46759 1.95149 2.37315 ] [ -1.49513 2.24499 4.89593 ] [ -1.51482 2.26793 7.74871 ] [ -2.60635 4.58616 0.485327 ] [ -2.69256 4.48069 2.67269 ] [ -2.72927 4.56722 5.31696 ] [ -2.89421 4.44106 7.87764 ] [ -3.94579 6.84436 0.0641042 ] [ -4.08301 6.85325 2.63122 ] [ -4.51897 6.91495 5.13935 ] [ -4.09555 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