{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05856e-09 0.0 0.0 ] "source-value" [ 10.5856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] "source-value" [ -5.4462 9.06493 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] "source-value" [ -0.279622 0.188792 10.3176 ] } "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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0.0420271 ] [ 11.1416587 -0.482705 14.6534741 ] [ 0.8903236 1.9014681 -4.5509566 ] [ 14.3364002 -4.7806386 1.6601661 ] [ -0.7131433 4.3579324 4.8228705 ] [ 4.8433257 2.8008505 -1.3675518 ] [ 4.6320046 -7.5859973 0.8795263 ] [ 4.2316673 16.4442784 9.7320418 ] [ 4.4017605 2.3734952 4.0933968 ] [ -0.5324779 -3.1224343 0.002659 ] [ 10.0187997 12.7322993 -3.374052 ] [ -0.4534308 3.2400168 -1.0290932 ] [ 4.6852672 1.0624086 -0.5179024 ] [ 17.3490909 -1.3709022 9.2056842 ] [ 3.4006402 1.0545824 4.6263938 ] [ -0.206577 -4.345514 -4.1630505 ] [ 7.1176737 -2.2776596 -7.9344616 ] [ -5.8694341 -5.7094873 11.0008195 ] [ 0.0040776 -3.8521749 0.3368127 ] [ -6.0023714 0.895439 -1.3297008 ] [ -4.6173865 2.4648494 -6.2719932 ] [ -15.8090762 8.0625617 13.2308024 ] [ -3.0601544 0.9102462 -0.9799955 ] [ 1.0421312 -2.7656228 1.6705482 ] [ 4.6645344 -0.9272262 -2.9598093 ] [ -0.0013916 -0.138529 -9.1247789 ] [ 2.6300164 -5.9871165 12.9407272 ] [ 2.800041 -0.8741864 -0.5852219 ] [ -0.5426901 4.5902132 3.8151581 ] [ -5.5446986 10.3698866 -7.3401275 ] [ -1.748164 1.4704122 2.6635475 ] [ 1.401838 1.7306388 -2.0731438 ] [ 2.1659884 0.7521118 -3.4061504 ] [ 4.2912885 -2.5821163 0.5987096 ] [ 3.4623835 1.3399331 0.5087448 ] [ 9.3209922 -2.2075733 2.9452302 ] [ 17.2904426 10.6058556 -13.5621754 ] [ 8.7587541 0.206138 1.7357178 ] [ 3.5569459 1.774817 -0.950305 ] [ -1.9903316 9.0291616 -4.0780408 ] [ 3.714024 4.8175761 0.4667977 ] [ -3.8564335 -0.9870836 -2.0538846 ] [ -0.6872027 -1.6257888 4.5456309 ] [ -7.4250318 -6.9177642 -3.1130657 ] [ -6.4110931 -5.1964695 -2.0082588 ] [ 0.2683316 1.542312 6.5877952 ] [ -4.1304929 -0.8561854 -1.7477016 ] [ -6.5996885 -1.5990637 0.4822218 ] [ -15.2210483 -4.212668 -7.3126078 ] [ -8.1381161 3.7397202 3.0800949 ] [ -7.4732294 -3.9214222 -0.6193982 ] [ -8.533071 -9.8881134 2.7954506 ] [ -4.8903543 -4.9260817 0.072009 ] [ -2.2575796 -11.9784868 -0.495958 ] [ -11.2045521 -13.2371971 -15.5395515 ] [ -6.0570541 -0.3904498 0.6816672 ] [ -4.8090106 -5.2000496 -1.4159567 ] [ -2.5330302 -3.3275927 -2.5676704 ] [ -7.8289289 -1.1358729 -0.9055666 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 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2.5099700000000004e-10 2.49044e-10 ] [ 3.7568000000000004e-10 2.35138e-10 5.32247e-10 ] [ 3.52485e-10 2.8470300000000004e-10 7.851600000000001e-10 ] [ 2.41741e-10 4.60396e-10 2.1312100000000002e-11 ] [ 2.23357e-10 4.703509999999999e-10 2.9834200000000004e-10 ] [ 2.68435e-10 4.58157e-10 5.09325e-10 ] [ 2.36938e-10 4.840110000000001e-10 7.83278e-10 ] [ 1.23197e-10 6.85774e-10 -3.54973e-11 ] [ 1.03514e-10 6.993280000000001e-10 2.2988400000000002e-10 ] [ 1.1221000000000002e-10 7.01945e-10 5.15496e-10 ] [ 1.0445700000000001e-10 7.05661e-10 7.65948e-10 ] [ 8.03473e-10 2.4606300000000003e-11 4.2580800000000006e-11 ] [ 7.839730000000001e-10 1.55836e-11 2.6441200000000004e-10 ] [ 7.948240000000001e-10 -2.91046e-12 5.41958e-10 ] [ 7.79487e-10 3.27794e-11 8.006360000000001e-10 ] [ 6.54326e-10 2.36157e-10 4.43569e-11 ] [ 6.58001e-10 2.40647e-10 2.9796700000000003e-10 ] [ 6.74105e-10 2.32551e-10 5.05787e-10 ] [ 6.35624e-10 2.3677899999999997e-10 8.105930000000001e-10 ] [ 5.584469999999999e-10 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2.36779 8.10593 ] [ 5.58447 4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.360855079867886e-17 "source-value" 84.937894 } }