{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05774e-09 0.0 0.0 ] "source-value" [ 10.5774 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.543500000000001e-10 9.41396e-10 0.0 ] "source-value" [ -5.5435 9.41396 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 6.4938e-12 4.67405e-12 1.04512e-09 ] "source-value" [ 0.064938 0.0467405 10.4512 ] } "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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4.113587 3.1847214 0.110048 ] [ 3.6530456 -0.8625815 1.0425823 ] [ 0.7356839 0.5424318 -0.9949998 ] [ 0.1018368 -5.2028733 1.4288384 ] [ 2.5903493 -1.6815444 0.8622945 ] [ -2.9505514 1.2726453 -1.1089166 ] [ -0.078202 2.6654062 -1.3471972 ] [ -4.1565632 4.0521839 -1.6031401 ] [ -0.4006227 2.1787081 1.5054111 ] [ -1.7801961 -1.2139159 -0.4142297 ] [ 1.2936315 0.6194813 -0.7940831 ] [ -2.6826802 -1.8346835 -0.5300275 ] [ -3.9348173 -2.0409546 1.7429846 ] [ -0.914259 0.3390597 1.4319378 ] [ 4.8734088 4.2158104 -2.8218661 ] [ 1.6212973 2.3430065 1.2337073 ] [ -0.0547641 0.5313335 0.458036 ] [ -1.6215941 -0.6824816 1.3399203 ] [ -2.0425717 -4.8625901 1.2183537 ] [ -0.0812544 -3.0491373 0.2451066 ] [ -3.6763804 -1.664279 -3.0808998 ] [ -1.3521869 -4.1463251 1.1065087 ] [ -1.1765277 1.8172829 -1.0879985 ] [ 0.0338845 1.8287041 -0.5132135 ] [ 2.1899217 0.2466531 2.8023448 ] [ -2.0989351 1.4093699 0.620227 ] [ -5.8528236 -0.8060817 3.1830014 ] [ -0.9418518 -0.7421679 -3.6138763 ] [ 1.4480913 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0.6637476 ] [ 4.1537775 3.1866767 -0.2375912 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.36369e-11 2.6893e-11 3.12575e-11 ] [ -4.6845700000000004e-11 -5.5153300000000005e-12 2.71797e-10 ] [ 1.55919e-11 9.258800000000001e-12 5.15124e-10 ] [ -1.8440999999999998e-12 9.29563e-12 7.822730000000001e-10 ] [ -1.5547700000000002e-10 1.97581e-10 -2.67213e-11 ] [ -1.04358e-10 2.17509e-10 2.2126600000000002e-10 ] [ -1.4028400000000001e-10 2.08288e-10 5.10665e-10 ] [ -1.5319300000000002e-10 2.47262e-10 7.672320000000001e-10 ] [ -2.5255700000000003e-10 4.36371e-10 -6.87127e-12 ] [ -2.6316799999999996e-10 4.78588e-10 2.11088e-10 ] [ -2.8285e-10 4.663870000000001e-10 4.81651e-10 ] [ -2.43747e-10 4.62598e-10 7.37597e-10 ] [ -4.0326300000000004e-10 6.85233e-10 1.29409e-12 ] [ -3.84994e-10 6.83623e-10 2.55746e-10 ] [ -3.9877800000000003e-10 6.955460000000001e-10 5.089750000000001e-10 ] [ -4.04437e-10 7.153450000000001e-10 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