{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.03266e-09 0.0 0.0 ] "source-value" [ 10.3266 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.46418e-10 9.071630000000001e-10 0.0 ] "source-value" [ -5.46418 9.07163 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.00466e-11 -1.99298e-12 1.00183e-09 ] "source-value" [ -0.100466 -0.0199298 10.0183 ] } "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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] [ 1.6340034 -0.6190759 -0.1483441 ] [ 4.3624156 0.5978161 -9.7732217 ] [ -0.9029153 2.0975538 11.2193531 ] [ -0.6869863 0.5727779 -0.0137616 ] [ 6.8887282 2.8027707 -0.7403001 ] [ -0.2509049 0.7001054 -9.0549115 ] [ -1.7839525 1.1101706 4.7016923 ] [ 0.1580329 -0.0882217 -2.9315186 ] [ -1.2318214 1.3841796 3.1256423 ] [ -1.5880594 1.9396905 -4.1284138 ] [ 2.571829 0.8712016 41.259693 ] [ 0.0269692 -0.8593347 -0.9147398 ] [ -0.4997339 1.0075734 2.6955623 ] [ -3.842435 -0.2320097 -42.3855536 ] [ 2.6506272 2.0231093 -0.1197046 ] [ -0.7119061 1.2190719 0.7507861 ] [ 0.2079283 -0.2631615 -0.4162231 ] [ 0.0771485 -0.254315 -0.2523672 ] [ 2.7927832 0.6367302 0.3687001 ] [ -0.3903965 0.0022851 -0.4525403 ] [ -0.0570903 -2.7180412 -2.5733227 ] [ 1.7259297 0.4204754 2.9046077 ] [ 0.1963062 -0.0804885 4.2260156 ] [ -0.3564675 -1.5000722 -1.2294675 ] [ -5.895247 0.0743448 0.2415121 ] [ 1.7803442 1.2580582 -4.0477629 ] [ -1.0995584 1.3339454 1.2222496 ] [ 1.6920365 1.9699342 -1.1448238 ] [ -0.6817982 0.482267 0.3097381 ] [ -0.4906546 -0.7921026 -1.3192512 ] [ 0.1070659 2.44643 3.8616572 ] [ 1.2048542 0.0182064 -0.4218982 ] [ -0.7008869 -1.5742713 0.9210889 ] [ -0.3318115 -1.110583 -3.3449194 ] [ -0.6743198 -0.9686585 18.5398385 ] [ 1.1726541 -0.5697377 0.3882017 ] [ -0.7825978 1.0171989 -0.5262085 ] [ -2.0128357 0.6634067 -17.3767681 ] [ 0.2251851 -2.2378469 -1.591552 ] [ -1.2657301 0.2008505 1.0781367 ] [ 6.6971463 1.9797475 -0.5825874 ] [ -0.2572913 -0.5676658 0.879219 ] [ -0.4408837 -1.0479139 0.3467568 ] [ -2.4854629 1.4351675 -0.379552 ] [ -0.7185004 -1.0367407 -11.4184172 ] [ -2.0728062 0.1303995 9.7802468 ] [ -2.1303214 -1.635709 2.5339235 ] [ -1.0511861 -2.1599253 -14.0626675 ] [ 0.1883561 -5.7484979 10.8281467 ] [ -4.7465085 -0.8595986 -1.0003382 ] [ -0.7313329 -0.0487755 0.5884913 ] [ -0.5644804 -0.8716226 -1.8700402 ] [ -5.4162276 2.9253979 -2.843909 ] [ -0.1234021 0.39682 4.2969611 ] [ 0.0399167 -3.0651258 34.7563063 ] [ 0.8804359 -0.417994 -1.0136864 ] [ 0.830125 -0.7461895 0.9137526 ] [ 0.3496813 3.070006 -34.5533842 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.79513e-12 1.89385e-11 1.81226e-11 ] [ -5.714190000000001e-12 1.84695e-12 2.66513e-10 ] [ -9.26515e-12 -4.311220000000001e-12 4.80401e-10 ] [ -1.23731e-11 6.85428e-13 7.75749e-10 ] [ -1.38977e-10 2.19543e-10 -3.65932e-11 ] [ -1.3734900000000001e-10 2.27203e-10 2.5969699999999997e-10 ] [ -1.40342e-10 2.26383e-10 5.12911e-10 ] [ -1.50591e-10 2.32681e-10 7.790070000000001e-10 ] [ -2.4512600000000003e-10 4.36314e-10 -2.3005800000000002e-11 ] [ -2.62147e-10 4.44532e-10 2.61212e-10 ] [ -2.7461700000000006e-10 4.5467199999999996e-10 5.268360000000001e-10 ] [ -2.7987700000000005e-10 4.62104e-10 7.93943e-10 ] [ -4.02377e-10 6.860350000000001e-10 -3.5710599999999996e-11 ] [ -4.02656e-10 6.82079e-10 2.7766000000000005e-10 ] [ -3.87725e-10 6.73954e-10 4.85516e-10 ] [ -4.01886e-10 6.73891e-10 7.59605e-10 ] [ 2.66218e-10 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