{ "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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0.2447031 ] [ 15.8376715 -1.4859693 0.476296 ] [ 1.2614443 0.4136199 -3.0441593 ] [ 3.7712013 -0.5947473 6.6513914 ] [ -0.087056 -2.5850697 -5.8723496 ] [ 0.8455821 1.2375369 6.9243356 ] [ 1.6034535 1.4652433 -7.2123154 ] [ 6.6132215 18.1873383 0.3305917 ] [ 0.4946826 -0.8417294 -1.1453563 ] [ 0.6379643 -0.5206245 -1.6619034 ] [ 11.4783995 12.7175983 -6.5090005 ] [ -3.7339659 3.9035666 -1.4015302 ] [ 5.2147609 2.2559693 0.7631888 ] [ 9.7411743 -2.0224474 1.9801827 ] [ 4.409031 -0.2934733 -0.6513145 ] [ 1.4439764 -6.4805953 0.3070061 ] [ 8.7077961 -6.937383 -8.4711616 ] [ -0.9598308 -1.2883427 11.7710012 ] [ -0.4629953 -3.7887936 -1.4982071 ] [ -17.2384391 0.6029782 0.8007429 ] [ -0.6970301 9.9024814 -2.600896 ] [ -6.9196369 -0.3443451 1.4650837 ] [ -0.2126512 1.6454124 -0.1815715 ] [ 0.099676 -3.9398723 -0.884226 ] [ 0.5432414 -0.5121071 0.5940927 ] [ -2.8127343 3.6022467 -72.2007812 ] [ 1.7978783 -3.2447604 73.9522362 ] [ 6.5330163 -1.0736293 -0.1446892 ] [ 2.0795939 2.8895842 1.5807494 ] [ -0.599847 0.9484145 -10.5099201 ] [ -1.9621487 0.1232726 9.5974708 ] [ -2.4706167 0.228968 -0.015348 ] [ 0.092445 -0.5205589 0.2308289 ] [ 2.287931 -1.2020226 0.1502552 ] [ 2.7749611 -4.0321928 -1.3350942 ] [ 14.5319555 -0.2664203 1.3590566 ] [ 0.9535985 4.500899 -12.2982592 ] [ 3.6176653 1.8266974 11.4967762 ] [ 0.8157641 7.2022741 0.3209767 ] [ 1.8139314 7.8631936 4.3220333 ] [ 3.1062311 -0.1470431 0.6025296 ] [ 1.9349624 -1.5696334 -2.7170398 ] [ -1.8826125 2.582508 -3.876323 ] [ -4.4719831 -2.4747908 -7.3511992 ] [ -2.0059307 -1.1114944 7.4128061 ] [ -1.4219551 5.5072338 4.1323355 ] [ -1.9994466 -1.5613271 -0.5488692 ] [ 0.236975 -1.0451316 -1.4339992 ] [ -3.5699132 0.5213869 -16.1766237 ] [ -13.1848993 -0.2030416 18.4891752 ] [ -3.0374835 1.0791973 0.4246677 ] [ -9.0320361 -15.6285672 4.1360584 ] [ -2.5057683 -2.2470307 2.1392682 ] [ -0.3051827 -4.4774466 -0.424152 ] [ -10.8371355 -13.0731365 2.7370603 ] [ -3.4276191 -0.7390722 -2.3035353 ] [ -1.2359417 -0.7722761 -4.2074243 ] [ -1.9311564 -3.7982598 5.2159514 ] [ -2.0653388 -3.654926 0.1738179 ] ] } "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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