{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.08883e-09 0.0 0.0 ] "source-value" [ 10.8883 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.08893e-10 9.25118e-10 0.0 ] "source-value" [ -5.08893 9.25118 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.92429e-14 -1.06915e-12 1.00599e-09 ] "source-value" [ 0.000292429 -0.0106915 10.0599 ] } "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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1.1811354 ] [ 1.7149332 -0.6190532 0.5538082 ] [ 0.3862969 0.7073854 -0.3898165 ] [ -0.7354477 -0.0516942 0.0831438 ] [ 1.6251562 -1.0950448 0.6491817 ] [ -0.0766107 -0.3972077 0.1008001 ] [ -0.0979434 -0.0838962 -0.650384 ] [ 0.7152249 0.6608325 1.231613 ] [ -1.2151414 1.7591146 0.6915002 ] [ -1.6637619 1.7139013 -0.3915009 ] [ 1.0478728 -0.5431824 -1.5402129 ] [ 1.7319379 -2.6279988 0.2772842 ] [ -0.7936489 -0.1389533 2.7760286 ] [ -0.7306092 0.4847565 -0.2110869 ] [ -0.0141194 -0.3600584 -3.0478183 ] [ -0.7848203 -0.0520879 11.8281469 ] [ -1.0796447 0.1012782 0.2091971 ] [ 0.9084984 0.3708369 0.8361818 ] [ -1.6634254 0.3444282 -13.7840081 ] [ -2.829405 -0.9461509 10.7296976 ] [ -0.1600332 0.4265544 0.4821521 ] [ 1.8379695 -1.5164598 -1.7299746 ] [ -3.1623846 0.6229942 -8.1724134 ] [ -0.8258891 -0.9253717 -1.6527787 ] [ -0.2571159 -0.7009203 1.4995952 ] [ -0.40019 2.1921851 -0.4198723 ] [ -0.9494233 -0.5282828 0.1688404 ] [ -0.3100932 1.1602424 -2.9486103 ] [ 0.5039612 -0.0378085 3.2959127 ] [ 1.1024386 -0.0347752 -0.7148845 ] [ -1.6209344 1.3830249 0.2177061 ] [ 1.1126121 0.9636307 0.5769666 ] [ -2.9562761 1.0907231 -0.9256384 ] [ -0.3296437 -0.6242605 2.0401169 ] [ 1.0372956 0.1204682 -2.3358583 ] [ 4.051091 0.5166787 7.0123527 ] [ -0.4706091 -0.525537 0.8664994 ] [ -0.4634002 0.1106192 0.0545142 ] [ 1.0290287 0.5810298 -7.7830969 ] [ 1.0127789 0.3310928 0.3987429 ] [ -0.5319992 -0.6683342 3.9326262 ] [ -0.0891763 -0.3338328 0.7392239 ] [ 1.2671659 -0.3095767 -5.6472748 ] [ 2.3494269 -1.8032559 5.1819773 ] [ 0.1637935 -0.0258983 -0.6235924 ] [ -1.445837 -0.7546951 -4.9411064 ] [ 2.6807967 -3.335361 0.5259034 ] [ -0.4820955 1.0403937 1.6108957 ] [ 2.8035559 -0.1294233 0.3817388 ] [ -1.6926161 -0.6507529 -0.2269227 ] [ -2.0723674 4.8938052 -1.3727267 ] [ -0.9228284 1.6812711 30.3908661 ] [ 0.6938246 -1.4963238 -0.5676226 ] [ -0.2281741 -0.0934439 0.3488814 ] [ -0.3372209 -1.61875 -29.8677512 ] [ 6.9317657 -11.6125836 56.8946966 ] [ -0.717827 0.7024184 1.5670816 ] [ 0.2872072 0.3037467 -0.4451743 ] [ -8.1126022 12.6661418 -57.8754885 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.6554599999999999e-12 4.6381e-13 1.28623e-11 ] [ -2.3478800000000003e-12 -4.52155e-12 2.54548e-10 ] [ -4.887270000000001e-13 -4.624800000000001e-13 5.13702e-10 ] [ -4.47334e-12 -3.06647e-11 7.45196e-10 ] [ -1.2630600000000002e-10 2.3057500000000003e-10 3.6396800000000006e-11 ] [ -1.39208e-10 2.33654e-10 2.5263e-10 ] [ -1.1753700000000002e-10 2.25364e-10 4.907350000000001e-10 ] [ -1.46062e-10 2.40803e-10 7.6638e-10 ] [ -2.6570700000000003e-10 4.84171e-10 -1.7287800000000002e-11 ] [ -2.6952099999999997e-10 4.914010000000001e-10 2.7391100000000005e-10 ] [ -2.71562e-10 4.80584e-10 5.089260000000001e-10 ] [ -2.41811e-10 4.7596e-10 7.570710000000001e-10 ] [ -3.78692e-10 6.96269e-10 -1.2418400000000001e-11 ] [ -3.6736800000000003e-10 6.79821e-10 2.2855500000000002e-10 ] [ -3.63384e-10 6.77872e-10 5.17021e-10 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2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.478726468564987e-17 "source-value" -217.12503 } }