{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "instance-id" 1 "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" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 10.7144 0 0 ] "si-unit" "m" "si-value" [ 1.07144e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.09399 9.66634 0 ] "si-unit" "m" "si-value" [ -5.09399e-10 9.66634e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0584924 -0.0611089 10.7553 ] "si-unit" "m" "si-value" [ -5.84924e-12 -6.11089e-12 1.07553e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0138471 0.0272297 -0.18026 ] [ -0.063454 -0.0500934 2.8757 ] [ -0.117743 -0.153794 5.34906 ] [ -0.308272 -0.00940109 7.68584 ] [ -1.46082 2.17322 0.154735 ] [ -1.43053 2.252 2.93725 ] [ -1.52004 2.12235 5.70391 ] [ -1.38217 2.45391 7.73711 ] [ -2.32386 4.34974 -0.0341353 ] [ -2.14732 4.59913 2.85456 ] [ -2.58803 4.49203 5.22398 ] [ -2.53205 4.45019 7.97976 ] [ -3.63337 7.17929 -0.0491028 ] [ -3.89229 6.71793 2.89818 ] [ -3.66413 7.02015 5.09652 ] [ -3.92788 6.93366 8.0512 ] [ 2.45378 0.309373 0.291799 ] [ 2.63293 -0.0916649 2.38171 ] [ 2.30296 -0.201703 4.97556 ] [ 2.76192 -0.281406 7.62532 ] [ 1.31779 2.17407 -0.230385 ] [ 1.52587 2.23453 2.90133 ] [ 1.2551 2.11078 5.57886 ] [ 1.54308 1.87063 7.88471 ] [ -0.135475 4.44987 0.253366 ] [ 0.206692 4.4119 2.48107 ] [ 0.0396793 4.80924 5.07207 ] [ -0.0230702 4.46471 7.99008 ] [ -1.22343 6.87043 0.107938 ] [ -1.45159 6.56532 2.67083 ] [ -1.48914 6.71211 5.58461 ] [ -1.31259 6.65303 7.82887 ] [ 5.36229 -0.201486 0.0779356 ] [ 5.08432 0.160103 3.04183 ] [ 5.04314 -0.419791 4.93253 ] [ 4.97733 -0.124917 7.93817 ] [ 4.07742 2.32906 0.253204 ] [ 3.79674 2.43742 2.78537 ] [ 3.81248 2.52072 5.25869 ] [ 4.0443 1.91504 8.20099 ] [ 2.79101 4.60985 -0.00391354 ] [ 2.79476 4.43142 3.20273 ] [ 2.32095 4.60023 5.44999 ] [ 2.43436 4.156 8.02437 ] [ 1.10367 7.03267 0.475772 ] [ 1.43412 6.61174 2.58351 ] [ 1.56081 6.78949 5.83699 ] [ 1.26983 6.69138 7.94657 ] [ 8.13694 -0.084966 0.0329206 ] [ 7.94829 0.166431 2.88626 ] [ 8.08334 -0.175614 5.07998 ] [ 8.05071 -0.0461084 7.69847 ] [ 6.29462 2.13237 0.227677 ] [ 6.59496 2.14714 2.68125 ] [ 6.5796 2.22172 4.97661 ] [ 6.61546 2.04155 7.94854 ] [ 5.60831 4.89949 0.273056 ] [ 5.31426 4.44385 2.78226 ] [ 5.2365 4.38736 5.62938 ] [ 5.34171 4.237 7.77426 ] [ 3.76471 6.57935 0.297265 ] [ 3.95924 6.9387 3.15334 ] [ 3.93889 6.54727 5.0212 ] [ 3.94816 6.64802 7.82443 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.38471e-12 2.72297e-12 -1.8026000000000003e-11 ] [ -6.3454e-12 -5.00934e-12 2.8757e-10 ] [ -1.1774300000000001e-11 -1.53794e-11 5.34906e-10 ] [ -3.08272e-11 -9.401090000000001e-13 7.68584e-10 ] [ -1.4608200000000002e-10 2.1732200000000002e-10 1.54735e-11 ] [ -1.43053e-10 2.2519999999999998e-10 2.9372500000000004e-10 ] [ -1.52004e-10 2.12235e-10 5.703909999999999e-10 ] [ -1.38217e-10 2.4539100000000003e-10 7.73711e-10 ] [ -2.32386e-10 4.34974e-10 -3.4135300000000003e-12 ] [ -2.14732e-10 4.59913e-10 2.8545600000000003e-10 ] [ -2.58803e-10 4.49203e-10 5.223980000000001e-10 ] [ -2.53205e-10 4.45019e-10 7.97976e-10 ] [ -3.6333700000000003e-10 7.17929e-10 -4.910280000000001e-12 ] [ -3.89229e-10 6.71793e-10 2.89818e-10 ] [ -3.66413e-10 7.020150000000001e-10 5.09652e-10 ] [ -3.9278800000000003e-10 6.93366e-10 8.0512e-10 ] [ 2.45378e-10 3.0937300000000004e-11 2.91799e-11 ] [ 2.63293e-10 -9.16649e-12 2.38171e-10 ] [ 2.3029600000000001e-10 -2.01703e-11 4.97556e-10 ] [ 2.76192e-10 -2.81406e-11 7.625320000000001e-10 ] [ 1.31779e-10 2.17407e-10 -2.3038500000000002e-11 ] [ 1.52587e-10 2.23453e-10 2.9013300000000004e-10 ] [ 1.2551000000000001e-10 2.1107800000000002e-10 5.57886e-10 ] [ 1.5430800000000002e-10 1.87063e-10 7.884710000000001e-10 ] [ -1.3547500000000002e-11 4.44987e-10 2.53366e-11 ] [ 2.06692e-11 4.4119000000000006e-10 2.48107e-10 ] [ 3.96793e-12 4.80924e-10 5.07207e-10 ] [ -2.30702e-12 4.46471e-10 7.99008e-10 ] [ -1.2234300000000001e-10 6.87043e-10 1.07938e-11 ] [ -1.45159e-10 6.56532e-10 2.67083e-10 ] [ -1.48914e-10 6.71211e-10 5.58461e-10 ] [ -1.3125899999999999e-10 6.653030000000001e-10 7.82887e-10 ] [ 5.36229e-10 -2.01486e-11 7.79356e-12 ] [ 5.08432e-10 1.60103e-11 3.04183e-10 ] [ 5.04314e-10 -4.1979100000000004e-11 4.932530000000001e-10 ] [ 4.97733e-10 -1.2491700000000001e-11 7.93817e-10 ] [ 4.07742e-10 2.3290600000000004e-10 2.5320399999999998e-11 ] [ 3.79674e-10 2.43742e-10 2.78537e-10 ] [ 3.81248e-10 2.52072e-10 5.25869e-10 ] [ 4.0443e-10 1.9150400000000002e-10 8.20099e-10 ] [ 2.79101e-10 4.60985e-10 -3.9135400000000003e-13 ] [ 2.79476e-10 4.4314200000000005e-10 3.20273e-10 ] [ 2.32095e-10 4.60023e-10 5.44999e-10 ] [ 2.43436e-10 4.156e-10 8.024369999999999e-10 ] [ 1.10367e-10 7.032670000000001e-10 4.75772e-11 ] [ 1.4341200000000002e-10 6.61174e-10 2.58351e-10 ] [ 1.56081e-10 6.78949e-10 5.836990000000001e-10 ] [ 1.26983e-10 6.69138e-10 7.946570000000001e-10 ] [ 8.136939999999999e-10 -8.4966e-12 3.2920600000000004e-12 ] [ 7.94829e-10 1.66431e-11 2.8862600000000003e-10 ] [ 8.08334e-10 -1.75614e-11 5.07998e-10 ] [ 8.050710000000001e-10 -4.61084e-12 7.698470000000001e-10 ] [ 6.29462e-10 2.13237e-10 2.27677e-11 ] [ 6.59496e-10 2.1471399999999998e-10 2.68125e-10 ] [ 6.579600000000001e-10 2.22172e-10 4.97661e-10 ] [ 6.61546e-10 2.04155e-10 7.94854e-10 ] [ 5.60831e-10 4.89949e-10 2.7305600000000004e-11 ] [ 5.314260000000001e-10 4.4438500000000006e-10 2.78226e-10 ] [ 5.2365e-10 4.3873600000000005e-10 5.62938e-10 ] [ 5.34171e-10 4.2370000000000005e-10 7.77426e-10 ] [ 3.76471e-10 6.57935e-10 2.97265e-11 ] [ 3.95924e-10 6.9387e-10 3.15334e-10 ] [ 3.93889e-10 6.54727e-10 5.0212e-10 ] [ 3.94816e-10 6.64802e-10 7.824430000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5929451 -9.4033989 -2.7508869 ] [ -0.1082546 -3.9985144 -2.648214 ] [ -2.2223766 -0.9709698 -1.7812806 ] [ 3.9651315 -2.7918577 6.615614 ] [ 6.1662581 -2.3831736 2.2527749 ] [ 3.3301489 1.1783373 -2.5604887 ] [ 0.04444430000000001 -1.0437887 -19.7008013 ] [ 7.1966724 -2.7013153 17.841362 ] [ -19.9784817 5.7697026 -3.8484913 ] [ -11.4374607 -22.6143018 0.8928182 ] [ -5.5227066 -2.9831335 -0.3042734 ] [ -12.5068251 3.4301161 4.2128028 ] [ -3.0779465 1.8758559 -0.5012593 ] [ -6.2602128 3.0202777 -10.3500754 ] [ -8.3433226 2.6831238 9.4567789 ] [ -1.9577378 0.5375544 0.7409621 ] [ 12.0782912 -8.9627203 -10.2896879 ] [ 4.1761465 -3.8865273 13.3196552 ] [ 4.8067897 -3.5337583 2.9185297 ] [ -13.1198079 -5.7258458 -2.9201097 ] [ -7.2298445 13.8845503 -4.0406995 ] [ -11.2015726 -4.0886934 0.0033447 ] [ -2.4912371 1.2253111 -3.6217153 ] [ -2.0584863 1.3413364 5.0633635 ] [ 24.6268786 1.9498588 -3.0783908 ] [ 4.4344368 -5.6712497 4.8506166 ] [ -2.5860866 3.3594918 -0.1493758 ] [ 6.364335 -1.6986973 1.1845582 ] [ -11.2504038 0.5879742 -0.0180091 ] [ 13.4496127 27.0211797 -3.9863108 ] [ 11.6975819 5.5298867 -4.2185502 ] [ -1.712933 1.4097119 4.723814 ] [ -1.2207902 -3.6563651 -2.5006283 ] [ -1.9994729 16.890791 -58.0747522 ] [ -3.0619046 -15.5629955 59.0056555 ] [ 22.2234333 -9.3193152 0.3616612 ] [ -11.0864163 4.5715732 -0.9132079 ] [ 4.0348603 -10.2319961 -2.3977857 ] [ 2.4513717 -7.2206032 0.7501769 ] [ -8.7525723 13.4436875 4.4069889 ] [ -9.4401992 -17.4216193 -4.1857821 ] [ -1.2161703 10.7051752 -1.0645606 ] [ 10.1599589 -6.2488918 1.6426969 ] [ 1.6377421 4.3552335 1.3863164 ] [ 5.1702045 -0.4105962 -12.8033199 ] [ -2.8119216 1.7246681 12.9988884 ] [ -2.8422632 11.6421737 -19.5235878 ] [ -1.303994 4.8112193 16.24348 ] [ -3.5036046 -3.8658426 0.117959 ] [ 1.2084802 -5.2406649 -10.2971609 ] [ -5.4984593 -4.8760819 10.8969508 ] [ -5.107369 -4.6404903 1.7180832 ] [ 10.0910271 2.7520687 -1.3506486 ] [ -0.7432894 0.1474186 -4.346072 ] [ 1.1481558 -1.7486429 7.0155933 ] [ 4.0368289 -3.5108031 0.9278642 ] [ 3.7845908 -0.4387708 0.5290474 ] [ 4.5812977 5.0469393 -2.0549423 ] [ 2.2042064 8.6303636 -12.8574678 ] [ 0.6852252 3.0642965 11.6995013 ] [ 5.4340008 16.988037 2.3815603 ] [ 1.401804 11.3170424 -65.7955543 ] [ 1.3597892 -15.1009004 66.3990701 ] [ 0.2973648 1.0575686 2.3756014 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.154356052464794e-09 -1.5065905997761302e-08 -4.407406713956694e-09 ] [ -1.734429906430164e-10 -6.406326342392529e-09 -4.242906592631676e-09 ] [ -3.5606398604683646e-09 -1.5556651258796532e-09 -2.8539261559175007e-09 ] [ 6.352841040037371e-09 -4.473049172392982e-09 1.0599382170363276e-08 ] [ 9.879434647033236e-09 -3.8182650566856624e-09 3.6093433064416865e-09 ] [ 5.335486755320803e-09 1.887904489030648e-09 -4.102355166761036e-09 ] [ 7.120761897448622e-11 -1.6723338659732356e-09 -3.1564163513936823e-08 ] [ 1.1530340361832701e-08 -4.3279842547267e-09 2.858501331513551e-08 ] [ -3.20090565625366e-08 9.244082690849048e-09 -6.165962837012284e-09 ] [ -1.8324832285833286e-08 -3.623210593818414e-08 1.4304524584499388e-09 ] [ -8.848351470957585e-09 -4.779506789802639e-09 -4.874997318277357e-10 ] [ -2.0038142940744715e-08 5.495651867327207e-09 6.749654209809776e-09 ] [ -4.931413963002081e-09 3.0054524917310404e-09 -8.031059380351962e-10 ] [ -1.0029966672027715e-08 4.839018359131261e-09 -1.6582648966018204e-08 ] [ -1.336747651964413e-08 4.298838258489289e-09 1.5151430186484222e-08 ] [ -3.1366417586585654e-09 8.612570991838895e-10 1.1871521632995712e-09 ] [ 1.9351555939287823e-08 -1.4359861041737472e-08 -1.648589752453253e-08 ] [ 6.690924342460881e-09 -6.226903227463108e-09 2.1340440334376595e-08 ] [ 7.701326141891871e-09 -5.661704978463563e-09 4.67600009097503e-09 ] [ -2.1020249659948607e-08 -9.173816350647037e-09 -4.6785315300567495e-09 ] [ -1.1583487925353412e-08 2.2245502064257692e-08 -6.473914323915483e-09 ] [ -1.7946897883774628e-08 -6.550809029070016e-09 5.3588001877398e-12 ] [ -3.991401871373922e-09 1.9631648138008376e-09 -5.8026276286603e-09 ] [ -3.2980586512691147e-09 2.1490578384136776e-09 8.11240268914846e-09 ] [ 3.945660946127463e-08 3.1240182089592792e-09 -4.9321258100805676e-09 ] [ 7.104751025909732e-09 -9.08634375491951e-09 7.771544577012526e-09 ] [ -4.143367524020504e-09 5.382499264074601e-09 -2.3932641644505723e-10 ] [ 1.0196788827948389e-08 -2.7216131222988883e-09 1.8978714696530986e-09 ] [ -1.802513409142481e-08 9.420385246348427e-10 -2.88537592193694e-11 ] [ 2.1548655204289652e-08 4.329270273845513e-08 -6.386774019621847e-09 ] [ 1.8741592394481325e-08 8.859855259407367e-09 -6.758862559796027e-09 ] [ -2.744421228207522e-09 2.258607466851745e-09 7.568384414162075e-09 ] [ -1.955921533456187e-09 -5.858142728593073e-09 -4.006448232579142e-09 ] [ -3.2035087606962186e-09 2.7062030669977495e-08 -9.30460110001801e-08 ] [ -4.9057120056571166e-09 -2.4934667745147147e-08 9.453748251595359e-08 ] [ 3.560586556051751e-08 -1.4931189058321038e-08 5.794451240644008e-10 ] [ -1.7762397150656732e-08 7.324467761660608e-09 -1.4631203593642085e-09 ] [ 6.464558894114231e-09 -1.6393465070599127e-08 -3.841676221879334e-09 ] [ 3.927530458988858e-09 -1.1568681730425629e-08 1.2019159005465547e-09 ] [ -1.402316682645564e-08 2.1539161987297875e-08 7.060774641877362e-09 ] [ -1.5124866578545494e-08 -2.7912511368903435e-08 -6.706362275635452e-09 ] [ -1.94851963762477e-09 1.7151581568316275e-08 -1.7056141187970205e-09 ] [ 1.6278048751980343e-08 -1.00118284303542e-08 2.6318905899242344e-09 ] [ 2.6239521251380917e-09 6.977853349314038e-09 2.2211237434109975e-09 ] [ 8.283580842901652e-09 -6.578476376491908e-10 -2.0513179981407217e-08 ] [ -4.505195084159894e-09 2.763222931225175e-09 2.0826515262453644e-08 ] [ -4.553807686718069e-09 1.8652818671109326e-08 -3.128023618500747e-08 ] [ -2.089228717676196e-09 7.708423143509837e-09 2.6024924110846323e-08 ] [ -5.613393424894916e-09 -6.193762684441808e-09 1.88991153570006e-10 ] [ 1.9361987390916467e-09 -8.396470849403947e-09 -1.649787059051841e-08 ] [ -8.809503013459997e-09 -7.812344485650325e-09 1.7458839953607608e-08 ] [ -8.182907273015947e-09 -7.4348851289636496e-09 2.7526727583079488e-09 ] [ 1.616760783268078e-08 4.409300166302756e-09 -2.1639776276648123e-09 ] [ -1.1908809089798796e-09 2.361906363369924e-10 -6.9631750080816485e-09 ] [ 1.8395483949515774e-09 -2.8016347955899985e-09 1.1240219658906952e-08 ] [ 6.467712939035922e-09 -5.624926693394766e-09 1.4866023407651029e-09 ] [ 6.063582949011368e-09 -7.029883234414872e-10 8.476273825584516e-10 ] [ 7.3400481283379425e-09 8.086088219676316e-09 -3.292380537278218e-09 ] [ 3.5315279905932573e-09 1.3827366902844123e-08 -2.0599934481567385e-08 ] [ 1.0978518044679768e-09 4.9095442519479815e-09 1.8744667612312623e-08 ] [ 8.706229110897306e-09 2.7217835938927455e-08 3.81568026512203e-09 ] [ 2.245937614247736e-09 1.8131900899267283e-08 -1.0541609972053824e-07 ] [ 2.178622483405553e-09 -2.4194309773241254e-08 1.0638303863354805e-07 ] [ 4.764309343340832e-10 1.6944116997720924e-09 3.806133054777687e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -179.31877 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.873003433316202e-17 } }