{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07511e-09 0.0 0.0 ] "source-value" [ 10.7511 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.546640000000001e-10 8.989990000000001e-10 0.0 ] "source-value" [ -5.54664 8.98999 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.88053e-11 -1.17226e-11 1.00731e-09 ] "source-value" [ -0.388053 -0.117226 10.0731 ] } "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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4.8713298 ] [ -3.239701 5.6210545 -1.7612244 ] [ 2.9909972 3.9483112 -8.6714385 ] [ 9.8790111 7.1286856 10.1997803 ] [ 2.6793224 -0.8584673 3.7547747 ] [ 1.4810503 -4.8617244 -2.5393352 ] [ 11.3873952 -6.216571 -2.661324 ] [ 15.6853873 5.5408109 24.6838467 ] [ -8.5750518 3.5065753 -2.2659112 ] [ -0.1903987 4.511027 -3.0248803 ] [ 7.8582353 -0.9726166 -5.689406 ] [ 6.7626172 2.373419 19.4490422 ] [ 2.8651006 -4.3504459 1.1054783 ] [ -2.5042311 1.1994253 -7.5613835 ] [ 3.1102213 17.4074217 -16.1526249 ] [ -4.3570331 -0.7564694 12.5236842 ] [ 1.8792464 -0.007245699999999996 1.9647079 ] [ 2.550565 2.025431 1.289295 ] [ -6.1329403 -2.9729506 -22.0795171 ] [ -10.3791616 -6.3609728 -4.533589 ] [ -5.5767442 -6.8488491 4.3615509 ] [ 0.0442231 1.2397172 2.9100028 ] [ -1.8876307 0.3465215 -8.3395525 ] [ -8.4620681 -3.5305651 -7.3014245 ] [ -4.9050319 4.4692087 1.2506373 ] [ 4.7645074 -2.778495 7.2141649 ] [ 1.9840665 -0.5428846 -3.9359097 ] [ -5.7375692 -1.4040093 3.846742 ] [ -8.1723266 3.4502155 0.1736646 ] [ -0.0944413 5.9147266 1.973701 ] [ -1.0885815 -0.973354 -9.297565 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.66546e-11 -1.76944e-12 -8.91954e-12 ] [ -8.01454e-12 -6.87123e-13 2.56707e-10 ] [ -1.3918600000000002e-11 3.76505e-13 5.21165e-10 ] [ -7.79243e-12 1.33655e-11 8.23057e-10 ] [ -1.4276e-10 2.2723800000000002e-10 -8.39582e-12 ] [ -1.5904e-10 2.44889e-10 2.49939e-10 ] [ -1.37203e-10 2.44373e-10 5.09418e-10 ] [ -1.42834e-10 2.03748e-10 7.7074e-10 ] [ -2.86888e-10 4.3196000000000003e-10 -7.83759e-12 ] [ -2.9526599999999997e-10 4.4746800000000004e-10 2.66137e-10 ] [ -2.76696e-10 4.81451e-10 4.9491e-10 ] [ -2.89647e-10 4.5729499999999997e-10 7.658960000000001e-10 ] [ -4.17187e-10 6.75043e-10 -1.84919e-12 ] [ -4.263e-10 6.73197e-10 2.57204e-10 ] [ -4.3237e-10 6.753300000000001e-10 5.111080000000001e-10 ] [ -4.09713e-10 6.78779e-10 7.84536e-10 ] [ 2.60085e-10 4.34026e-12 5.4447800000000006e-11 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[ 5.37638 4.73646 0.51975 ] [ 5.05673 4.72759 2.60401 ] [ 5.04362 4.68387 5.39048 ] [ 4.72881 4.77988 7.83039 ] [ 3.77924 6.93132 0.307909 ] [ 3.81833 6.81599 3.16615 ] [ 3.60385 6.97139 5.46765 ] [ 3.59881 6.9444 7.90601 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 1.638685099022845e-17 "source-value" 102.27868 } }