{ "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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1.7044882 23.3940688 ] [ 2.5609523 -2.9612288 1.4195659 ] [ -0.1756989 -3.2333814 1.7922286 ] [ 2.767077 2.4175456 -8.7629106 ] [ -2.3976073 -2.1466145 6.8078415 ] [ 0.8768033 0.8588104 -0.7736147 ] [ 4.4707764 2.2969781 0.4639652 ] [ 0.2536541 -1.898498 4.581681 ] [ -0.0248312 -1.9796739 1.7313514 ] [ 22.0135417 -2.1809001 1.4998592 ] [ 2.7378331 -2.5111457 -7.0382835 ] [ 0.4935521 -2.5243671 4.5270779 ] [ -2.0075657 0.3204349 0.6416389 ] [ -2.5640621 0.7555086 -1.9064624 ] [ 0.4918722 -1.6254852 -3.532235 ] [ -5.4922259 4.3722687 0.9358803 ] [ -2.9956624 0.7248933 0.0443346 ] [ 6.4696457 -1.0480165 -5.4842353 ] [ -1.9502733 0.6430428 7.9692972 ] [ -2.5363654 -1.7746646 3.636672 ] [ 1.7533213 -0.613955 -3.0200477 ] [ -1.4952198 9.050273 2.0082925 ] [ 1.5837083 -0.3641736 -3.1084942 ] [ 5.9889522 -2.856528 0.6679483 ] [ 2.5297335 5.6984989 1.2452744 ] [ -1.3504421 -2.0570186 -7.933141 ] [ -2.5813467 -0.1655008 6.5678147 ] [ -0.1052174 0.4803681 7.7698665 ] [ 3.7951795 0.7409754 2.3999358 ] [ 3.9066048 -0.2546141 -7.4785561 ] [ 1.2237069 1.8972638 4.4448896 ] [ 0.7276008 -2.8699938 9.2574296 ] [ 2.8073963 0.3818005 -0.1630217 ] [ -1.1877612 1.36208 0.5674186 ] [ 2.0977067 -0.2350485 -9.8441866 ] [ 1.97554 0.8430046 1.3014754 ] [ 2.3732266 -5.0563912 -0.9824973 ] [ 1.3029033 1.2888591 -4.360349 ] [ -0.4854666 -0.1742659 2.731207 ] [ -1.954011 -1.4787041 -10.5444986 ] [ -4.6846315 3.1017776 0.3603786 ] [ -3.0135707 -0.427528 8.6146011 ] [ 3.7010578 0.4447621 -0.619506 ] [ -1.4246693 -2.4255287 -2.1114984 ] [ -3.0721429 -1.0229655 4.2209941 ] [ -2.6812542 4.2334545 1.3731052 ] [ -0.8026699 0.6129466 -1.7096615 ] [ -4.2176206 -3.0441893 -0.8397893 ] [ -5.9432993 -2.2177444 7.931713 ] [ -6.7733658 -2.1496466 1.2181136 ] [ -1.3934498 -1.321692 -6.5003699 ] [ -2.3047106 2.5068735 -2.1052059 ] [ -1.5354396 1.0248778 6.7278591 ] [ -1.8782008 -0.1866745 -1.4968649 ] [ -4.0855099 2.4392439 -4.6148036 ] [ -1.5495769 -5.2597357 -4.2855874 ] [ 3.3822922 -1.8500777 -12.8468323 ] [ -16.8741034 -4.6695519 13.2457823 ] [ -5.3094283 -8.7557339 -1.8904131 ] ] } "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 ] [ 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] [ 7.98813 0.0646273 0.348553 ] [ 7.81184 -0.0381409 2.73794 ] [ 7.91579 -0.345681 5.60963 ] [ 7.67692 -0.122649 8.16693 ] [ 6.65958 2.51772 0.112505 ] [ 6.53716 2.24303 2.45744 ] [ 6.69999 2.26023 5.12355 ] [ 6.34109 2.14616 8.04966 ] [ 5.26606 4.55868 0.309546 ] [ 5.14345 4.38936 2.56679 ] [ 5.15982 4.46608 5.65685 ] [ 5.17008 4.33331 8.20244 ] [ 3.93881 6.94156 0.784897 ] [ 3.73503 7.06085 3.16928 ] [ 3.88909 6.7996 5.18682 ] [ 3.70294 6.72284 8.16498 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.585830533706508e-17 "source-value" -223.80994 } }