{ "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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2.978709 ] [ -2.27739 1.222873 1.7627572 ] [ -0.3050965 -1.0249335 -0.5249218 ] [ -0.8709675 -2.635673 1.6498636 ] [ 1.6855228 -4.5302801 -0.2612319 ] [ 1.041993 -4.8279478 0.1557065 ] [ -0.3737853 -1.0009347 -0.7500558 ] [ -2.0221246 -0.2185916 1.0939918 ] [ -2.8512869 3.1837702 0.2288707 ] [ -2.7856469 3.6276989 -0.3135617 ] [ -0.6578166 -0.8747736 -1.1442374 ] [ 3.3639903 -2.9621801 1.0896363 ] [ 0.2962129 0.3123856 3.5323703 ] [ -0.5375511 0.7693136 -0.443151 ] [ 0.9215497 -1.2325089 -4.6330401 ] [ -0.6759773 1.6999 12.6805271 ] [ 0.735796 -0.152072 0.1523225 ] [ 1.4653151 0.4347511 0.0913665 ] [ -1.7902093 -0.6446324 -13.1318448 ] [ -2.7102867 -0.8554912 13.6253288 ] [ -0.665127 0.5363673 0.4703138 ] [ 0.4747723 -2.7022596 -1.6356787 ] [ -3.6016158 0.665423 -11.5770211 ] [ 0.6208782 0.8931368 -0.5504015 ] [ 0.7525698 -0.1038211 1.2742504 ] [ -0.0583923 1.837139 -0.6247051 ] [ -0.9849719 0.2082524 -0.4002176 ] [ -0.9336789 -0.3549487 -2.555441 ] [ 0.188507 -1.4212891 2.5911699 ] [ 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0.6502727 -0.3932092 ] [ -5.4013931 7.8371671 -48.8521491 ] ] } "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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