{ "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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5.7906841 5.0849121 -0.6115018 ] [ 4.292127 -1.9716966 0.6575033 ] [ 0.6071548 1.2482336 -2.4038552 ] [ -0.1157014 -5.5108214 2.1986217 ] [ 3.289813 -1.708032 0.5492745 ] [ -3.7497246 1.5849173 -1.0073005 ] [ 0.8578863 2.6495177 -0.9369112 ] [ -4.4511351 4.1782442 -0.8551012 ] [ -0.4643038 2.9325476 1.7656997 ] [ -2.6794901 -1.6688875 -0.9141894 ] [ 1.3953416 0.6209577 0.1304234 ] [ -3.2112814 -2.0952475 -1.8500314 ] [ -5.7437886 -2.6416819 2.1795863 ] [ -0.6172747 0.9417221 0.4922444 ] [ 6.5051492 6.7179344 -2.7768238 ] [ 1.9992341 2.3876615 1.0755784 ] [ 0.9513404 0.8605111 -0.1397556 ] [ -2.4908921 -0.4651872 2.0202686 ] [ -2.4804607 -5.4165575 1.6896718 ] [ -0.1393256 -3.7635443 0.5912678 ] [ -4.4458488 -1.7980229 -3.5555952 ] [ -2.2999825 -6.2083844 1.3042827 ] [ -1.5461161 1.826634 -0.8133576 ] [ -0.2856482 2.3086823 -1.654087 ] [ 2.2999534 0.6711243 3.9169403 ] [ -1.7660889 2.388438 0.3321808 ] [ -7.3434356 -1.041325 3.3117124 ] [ -1.545654 -0.653489 -2.8204076 ] [ 3.0259902 -6.3137773 0.8818567 ] [ -5.7878138 -1.9987139 -0.6821919 ] [ -3.9929966 -4.4425774 -5.6783574 ] [ -1.9720641 0.2176099 1.0602227 ] [ -2.9141455 2.611926 0.7644314 ] [ 0.652197 -0.9998467 0.8430672 ] [ -0.8469292 -2.3242139 -0.9055565 ] [ 1.5267266 -4.8407239 -0.3591512 ] [ -1.182608 -1.4042882 -2.9604125 ] [ 2.6701772 -3.8966587 3.3405821 ] [ 1.0060354 1.4946159 0.8703758 ] [ 1.3220903 2.4569492 -1.4764467 ] [ -1.267191 5.1899928 0.4514444 ] [ -0.0417692 7.2460033 -1.4688745 ] [ 3.8147042 -4.3013292 2.0069548 ] [ 2.3267655 -1.8653681 -1.1724389 ] [ 2.8589858 -13.9607038 3.1445392 ] [ 8.7106258 -0.7906977 -2.2974647 ] [ -2.0781765 2.0245924 -0.1542432 ] [ 3.077047 5.6896152 -5.7375132 ] [ -4.2724815 6.94702 2.0602563 ] [ -1.4403019 3.2306544 2.5504439 ] [ 1.7977188 1.3236916 -1.5196467 ] [ 0.5091152 2.3377552 2.5610169 ] [ -0.0278322 0.8181461 0.6609483 ] [ 5.9137253 1.4751948 2.2389285 ] [ -1.2461609 4.287355 -0.2345488 ] [ 4.0143969 1.0537501 -0.9640912 ] [ -0.1991539 3.9072145 0.5261396 ] [ 5.5992147 3.7461214 -0.0416348 ] ] } "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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