{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05393e-09 0.0 0.0 ] "source-value" [ 10.5393 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.438869999999999e-10 9.05087e-10 0.0 ] "source-value" [ -5.43887 9.05087 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.43218e-11 -1.14794e-11 1.05272e-09 ] "source-value" [ -0.143218 -0.114794 10.5272 ] } "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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-1.3259159 ] [ 0.0263582 -0.0179719 0.3014982 ] [ -7.4288257 -11.2504189 4.3241725 ] [ -1.6167497 -1.817202 -13.4970502 ] [ 4.7741329 -5.9815447 1.9093634 ] [ 0.0 0.0 0.0 ] [ 0.0901825 -1.3748945 15.038364 ] [ 0.5548441 0.5167639 -10.8636579 ] [ 4.0247027 2.9691081 0.4603469 ] [ 2.3514437 7.850872 0.7077104 ] [ -0.5548441 -0.5167639 10.8636579 ] [ -1.8518805 0.1033811 0.0103491 ] [ -0.5284948 -0.08291519999999998 10.5667816 ] [ 2.8138461 -5.2103831 -11.0218906 ] [ -5.0467298 -0.0369417 0.4743688 ] [ 12.7721512 -2.607771 -1.3874852 ] [ -1.4630692 -7.3984719 -1.9936526 ] [ 0.3245759 0.7375467 -0.0299009 ] [ 5.6557167 10.559565 1.7727692 ] [ -0.2951952 -0.4253206 12.607528 ] [ -9.334467 0.3276738 -8.1030655 ] [ 0.1054813 -0.3465613 -6.5641332 ] [ -5.6557167 -10.559565 -1.7727692 ] [ -5.0938661 8.7776266 1.1208912 ] [ 12.4963456 0.1547082 3.06433 ] [ 0.0 0.0 0.0 ] [ -7.4356814 12.3103166 -1.3191526 ] [ 6.1077153 -8.1249435 10.0871454 ] [ -0.5337244 0.15655649999999996 -11.3108345 ] [ -0.3193996 0.3013139 5.4881486 ] [ 8.1446946 -11.9059099 -3.9334958 ] [ -13.9713061 0.2738125 1.3636064 ] [ -4.3445347 -0.3385364 0.0347473 ] [ 9.0555286 -0.2717894 12.9794345 ] [ 0.2887849 0.4817519 -12.4393683 ] [ -0.2862096 0.1870199 7.4189174 ] [ 0.8530687 -4.0141536 -7.624025 ] [ -0.6545856 -0.6513579 0.5966471 ] [ -0.9630956 3.6956632 0.1899697 ] [ -0.2315615 -0.0319572 1.5896502 ] [ -11.5420832 0.5430077 5.8220417 ] [ -0.7160406 -0.6602949 -10.5150063 ] [ 0.7375966 -2.9447114 -0.2238647 ] [ 0.0 0.0 0.0 ] [ 0.0 0.0 0.0 ] [ 0.2602914 1.2472134 13.2319509 ] [ 5.3560808 11.9527775 -11.0363966 ] [ -0.4639327 -0.8021734 -0.0268389 ] [ -0.0310557 5.239611 -1.2878865 ] [ -9.3443135 -0.2099625 -0.5400663 ] [ 1.180762 -2.7985251 -0.4504771 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.94125e-12 -1.32091e-11 -1.11737e-11 ] [ -1.84353e-11 4.30984e-13 2.1810200000000002e-10 ] [ -1.1482000000000001e-11 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7.85505 ] [ -1.3368 6.84839 0.00618535 ] [ -1.36517 6.60697 2.65842 ] [ -1.62439 6.56981 5.42544 ] [ -1.42765 6.93185 7.96007 ] [ 5.27133 -0.0417942 0.548974 ] [ 5.19823 -0.120697 2.85717 ] [ 5.16191 0.00847631 5.30183 ] [ 5.13479 -0.0212469 8.31225 ] [ 3.69224 2.55131 0.051838 ] [ 4.03576 2.12846 2.49134 ] [ 3.86904 2.26035 5.23367 ] [ 3.71411 2.63676 8.09455 ] [ 2.55809 4.50055 0.36649 ] [ 2.65311 4.49618 2.73582 ] [ 2.66157 4.48586 5.40926 ] [ 2.52374 4.61279 7.85315 ] [ 1.03181 6.80245 -0.224966 ] [ 1.09542 6.79948 2.63897 ] [ 1.26768 6.90023 5.34121 ] [ 1.19814 6.81094 7.63642 ] [ 7.89469 -0.0278934 0.337221 ] [ 7.90211 0.0217282 2.65444 ] [ 7.96695 0.205962 5.37915 ] [ 7.72314 -2.68416e-05 7.90902 ] [ 6.65304 2.20705 0.62969 ] [ 6.29274 2.1576 3.08819 ] [ 6.49406 2.29964 5.35531 ] [ 6.70652 2.22379 8.00048 ] [ 5.25236 4.63023 0.1322 ] [ 5.22305 4.62625 2.83966 ] [ 5.1632 4.60289 5.34535 ] [ 5.21651 4.83651 7.70287 ] [ 3.80398 6.65708 0.438012 ] [ 3.65432 7.1927 2.95946 ] [ 3.66801 6.95499 5.4583 ] [ 3.73246 6.78356 8.0622 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -7.976860082369001e-18 "source-value" -49.787645 } }