{ "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" [ 10.5393 0 0 ] "si-unit" "m" "si-value" [ 1.05393e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.43887 9.05087 0 ] "si-unit" "m" "si-value" [ -5.438869999999999e-10 9.05087e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.143218 -0.114794 10.5272 ] "si-unit" "m" "si-value" [ -1.43218e-11 -1.14794e-11 1.05272e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0494125 -0.132091 -0.111737 ] [ -0.184353 0.00430984 2.18102 ] [ -0.11482 0.380294 5.25782 ] [ -0.244788 0.0140152 7.75205 ] [ -1.34009 2.25547 0.00920874 ] [ -1.26592 1.82964 2.63403 ] [ -1.6022 2.11686 4.86106 ] [ -1.66796 2.19179 8.11251 ] [ -2.4686 4.65495 -0.00398125 ] [ -2.76237 4.7379 2.14805 ] [ -2.48563 4.61278 5.50478 ] [ -2.70397 4.5148 8.08626 ] [ -3.98412 6.86221 -0.0428531 ] [ -3.96331 6.85194 2.77309 ] [ -4.2696 6.9471 5.55519 ] [ -4.05263 6.79882 8.03872 ] [ 2.63278 -0.0182738 -0.0925887 ] [ 2.86231 -0.232189 2.37567 ] [ 2.47369 0.049804 5.46796 ] [ 2.47607 0.0805706 8.10722 ] [ 1.18343 2.27877 -0.357607 ] [ 0.95415 1.97479 2.63913 ] [ 0.838658 2.26204 5.11571 ] [ 1.16339 2.2787 7.75781 ] [ 0.00806354 4.51638 -0.0238729 ] [ 0.140016 4.43403 2.84088 ] [ 0.0408012 4.36729 5.18892 ] [ -0.252097 4.53274 7.85505 ] [ -1.3368 6.84839 0.00618535 ] [ -1.36517 6.60697 2.65842 ] [ -1.62439 6.56981 5.42544 ] [ -1.42765 6.93185 7.96007 ] [ 5.27133 -0.0417942 0.548974 ] [ 5.19823 -0.120697 2.85717 ] [ 5.16191 0.00847631 5.30183 ] [ 5.13479 -0.0212469 8.31225 ] [ 3.69224 2.55131 0.051838 ] [ 4.03576 2.12846 2.49134 ] [ 3.86904 2.26035 5.23367 ] [ 3.71411 2.63676 8.09455 ] [ 2.55809 4.50055 0.36649 ] [ 2.65311 4.49618 2.73582 ] [ 2.66157 4.48586 5.40926 ] [ 2.52374 4.61279 7.85315 ] [ 1.03181 6.80245 -0.224966 ] [ 1.09542 6.79948 2.63897 ] [ 1.26768 6.90023 5.34121 ] [ 1.19814 6.81094 7.63642 ] [ 7.89469 -0.0278934 0.337221 ] [ 7.90211 0.0217282 2.65444 ] [ 7.96695 0.205962 5.37915 ] [ 7.72314 -2.68416e-05 7.90902 ] [ 6.65304 2.20705 0.62969 ] [ 6.29274 2.1576 3.08819 ] [ 6.49406 2.29964 5.35531 ] [ 6.70652 2.22379 8.00048 ] [ 5.25236 4.63023 0.1322 ] [ 5.22305 4.62625 2.83966 ] [ 5.1632 4.60289 5.34535 ] [ 5.21651 4.83651 7.70287 ] [ 3.80398 6.65708 0.438012 ] [ 3.65432 7.1927 2.95946 ] [ 3.66801 6.95499 5.4583 ] [ 3.73246 6.78356 8.0622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.94125e-12 -1.32091e-11 -1.11737e-11 ] [ -1.84353e-11 4.30984e-13 2.1810200000000002e-10 ] [ -1.1482000000000001e-11 3.8029400000000006e-11 5.25782e-10 ] [ -2.44788e-11 1.40152e-12 7.75205e-10 ] [ -1.34009e-10 2.2554699999999999e-10 9.20874e-13 ] [ -1.26592e-10 1.82964e-10 2.63403e-10 ] [ -1.6022000000000002e-10 2.11686e-10 4.861060000000001e-10 ] [ -1.6679600000000003e-10 2.1917900000000003e-10 8.112510000000001e-10 ] [ -2.4686e-10 4.6549500000000006e-10 -3.9812500000000003e-13 ] [ -2.7623700000000005e-10 4.7379e-10 2.1480500000000001e-10 ] [ -2.48563e-10 4.61278e-10 5.50478e-10 ] [ -2.70397e-10 4.5148000000000003e-10 8.08626e-10 ] [ -3.98412e-10 6.86221e-10 -4.28531e-12 ] [ -3.96331e-10 6.85194e-10 2.77309e-10 ] [ -4.2696e-10 6.9471e-10 5.55519e-10 ] [ -4.05263e-10 6.79882e-10 8.03872e-10 ] [ 2.63278e-10 -1.8273800000000002e-12 -9.25887e-12 ] [ 2.86231e-10 -2.32189e-11 2.37567e-10 ] [ 2.47369e-10 4.9804e-12 5.46796e-10 ] [ 2.47607e-10 8.057060000000002e-12 8.10722e-10 ] [ 1.18343e-10 2.2787700000000002e-10 -3.5760700000000005e-11 ] [ 9.541500000000001e-11 1.9747900000000002e-10 2.6391300000000005e-10 ] [ 8.386580000000001e-11 2.26204e-10 5.11571e-10 ] [ 1.16339e-10 2.2787000000000004e-10 7.75781e-10 ] [ 8.06354e-13 4.51638e-10 -2.38729e-12 ] [ 1.4001600000000001e-11 4.43403e-10 2.84088e-10 ] [ 4.08012e-12 4.36729e-10 5.188920000000001e-10 ] [ -2.5209700000000004e-11 4.5327400000000006e-10 7.855050000000001e-10 ] [ -1.3368e-10 6.848390000000001e-10 6.18535e-13 ] [ -1.36517e-10 6.60697e-10 2.65842e-10 ] [ -1.62439e-10 6.56981e-10 5.42544e-10 ] [ -1.4276500000000002e-10 6.93185e-10 7.96007e-10 ] [ 5.27133e-10 -4.17942e-12 5.48974e-11 ] [ 5.19823e-10 -1.20697e-11 2.85717e-10 ] [ 5.16191e-10 8.476310000000001e-13 5.30183e-10 ] [ 5.13479e-10 -2.12469e-12 8.312250000000001e-10 ] [ 3.6922400000000003e-10 2.55131e-10 5.1838000000000006e-12 ] [ 4.03576e-10 2.12846e-10 2.4913400000000003e-10 ] [ 3.86904e-10 2.2603499999999999e-10 5.23367e-10 ] [ 3.7141099999999997e-10 2.6367600000000003e-10 8.09455e-10 ] [ 2.55809e-10 4.5005499999999995e-10 3.6649e-11 ] [ 2.65311e-10 4.49618e-10 2.73582e-10 ] [ 2.66157e-10 4.4858599999999996e-10 5.40926e-10 ] [ 2.52374e-10 4.612790000000001e-10 7.853150000000001e-10 ] [ 1.03181e-10 6.802450000000001e-10 -2.2496600000000002e-11 ] [ 1.0954200000000001e-10 6.79948e-10 2.63897e-10 ] [ 1.26768e-10 6.90023e-10 5.34121e-10 ] [ 1.19814e-10 6.810940000000001e-10 7.636420000000001e-10 ] [ 7.89469e-10 -2.78934e-12 3.37221e-11 ] [ 7.902110000000001e-10 2.17282e-12 2.65444e-10 ] [ 7.96695e-10 2.0596200000000002e-11 5.37915e-10 ] [ 7.72314e-10 -2.6841600000000002e-15 7.90902e-10 ] [ 6.65304e-10 2.2070500000000001e-10 6.2969e-11 ] [ 6.292740000000001e-10 2.1576e-10 3.08819e-10 ] [ 6.49406e-10 2.29964e-10 5.35531e-10 ] [ 6.706520000000001e-10 2.2237900000000003e-10 8.00048e-10 ] [ 5.25236e-10 4.6302300000000005e-10 1.3220000000000002e-11 ] [ 5.22305e-10 4.62625e-10 2.83966e-10 ] [ 5.1632e-10 4.6028900000000006e-10 5.34535e-10 ] [ 5.216510000000001e-10 4.83651e-10 7.70287e-10 ] [ 3.8039800000000003e-10 6.65708e-10 4.38012e-11 ] [ 3.65432e-10 7.1927e-10 2.95946e-10 ] [ 3.66801e-10 6.95499e-10 5.458300000000001e-10 ] [ 3.7324600000000005e-10 6.78356e-10 8.062200000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.1980056 1.1676619 -2.2686684 ] [ 11.7856221 -14.8552163 -4.3727501 ] [ -0.1400463 -12.4029941 2.5170355 ] [ 1.6182061 0.3168364 -1.7360445 ] [ -1.8705806 0.334211 0.0836956 ] [ -15.6417552 9.79714 -0.6813715 ] [ -3.8893019 9.2884365 -2.4763067 ] [ 16.9016812 2.5899651 2.5585165 ] [ 0.7934791 -1.7199066 -8.4594987 ] [ -2.2708766 -4.1293239 10.6507686 ] [ -6.3595163 -15.7812534 1.6200578 ] [ -2.293881 1.4621747 -2.1720733 ] [ -1.0983473 -2.5616922 0.699501 ] [ -5.8301975 0.3601823 1.9434586 ] [ -0.795714 -1.0628802 -1.8724105 ] [ 1.7615236 3.275244 0.6128808 ] [ 1.8200108 2.8119166 3.5476772 ] [ -3.7673914 4.0982147 -0.245301 ] [ 1.8288105 -0.7306349 -0.0033496 ] [ 0.6724611 1.9011935 -4.1748627 ] [ 1.0724505 -2.8287857 0.646011 ] [ 16.0748052 7.9519217 2.7240127 ] [ 19.8766947 8.2505346 0.0784306 ] [ 0.2149431 -1.1151106 -2.4343964 ] [ 3.447436 -1.8354211 0.1358061 ] [ 0.1053032 -0.5896857 -3.0389416 ] [ -2.5869922 5.2082994 2.9213754 ] [ 2.3276673 0.3644683 0.1528273 ] [ -4.5628668 2.3424885 0.2084857 ] [ 0.5093264 -1.4383355 1.4199915 ] [ 6.2234286 16.3068419 -1.7528701 ] [ -0.3174371 -2.7205273 -1.1331039 ] [ -0.1687138 3.4213208 -4.4499485 ] [ 3.5421827 0.1985574 5.0705537 ] [ 1.1635951 -1.1561685 1.264449 ] [ 0.5109963 3.93914 1.2407781 ] [ 3.1818564 -3.8640179 -0.8050415 ] [ -5.7534779 1.6538642 -0.1577228 ] [ -3.5030462 0.0416098 -0.4534171 ] [ 3.5557675 -5.7792601 0.1589514 ] [ -5.407467 4.7043803 0.1347168 ] [ 0.4752896 -0.1349177 1.6010917 ] [ -0.388192 1.4481786 0.1681103 ] [ -4.6384762 3.9585238 0.3647503 ] [ 3.9545185 -0.6740154 -1.2480772 ] [ 2.7785701 -2.7696329 -0.8089891 ] [ -5.2963707 -1.9139182 -4.8963529 ] [ -2.0715608 -0.9913844 3.867344 ] [ 0.3062801 -1.5431509 -3.6069503 ] [ -11.8815704 7.593692 3.3587206 ] [ -7.3912246 -10.1049466 3.9615554 ] [ -3.0772291 -4.2050931 -1.3088526 ] [ -1.1829983 2.3713893 -1.9118438 ] [ 2.8431393 1.9474743 -3.9324273 ] [ -2.1097369 3.1565341 6.8067025 ] [ -17.0479597 1.5333267 -2.0148909 ] [ 4.0888161 -2.2142104 -0.9377139 ] [ 1.8467141 -0.5718854 -0.8361588 ] [ 3.3051308 -0.3491992 -1.6186643 ] [ 0.3728295 -3.9691802 1.6539181 ] [ -0.8928595 0.6296699 -0.1755912 ] [ 2.0931816 -8.5700388 2.110794 ] [ 0.6922776 -0.9383984 -0.3786082 ] [ 1.6887977 -0.904207 2.080232 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.9194165639074763e-09 1.8708005971789075e-09 -3.634807470827743e-09 ] [ 1.88826481902038e-08 -2.380068025278708e-08 -7.005917978820863e-09 ] [ -2.2437890768954306e-10 -1.987178717494034e-08 4.032735431823639e-09 ] [ 2.592651981055947e-09 5.076278726984371e-10 -2.7814499105684257e-09 ] [ -2.9970005046420367e-09 5.354650506141888e-10 1.3409513358382848e-10 ] [ -2.5060854489716828e-08 1.5696748658704513e-08 -1.0916774873794272e-09 ] [ -6.23134857541302e-09 1.488171580408538e-08 -3.9674807006703995e-09 ] [ 2.707947847085489e-08 4.149581531907934e-09 4.099195320231044e-09 ] [ 1.2712936631134253e-09 -2.7555941444796175e-09 -1.3553611040827992e-08 ] [ -3.6383453972417933e-09 -6.615906212290677e-09 1.7064412444470747e-08 ] [ -1.018906833545652e-08 -2.528435524440051e-08 2.5956187315046826e-09 ] [ -3.6752025090973248e-09 2.342662119865254e-09 -3.480045059923905e-09 ] [ -1.7597463655788038e-09 -4.1042833525257175e-09 1.120724148426221e-09 ] [ -9.341006129146608e-09 5.770756602859719e-10 3.113763932412699e-09 ] [ -1.2748743676432514e-09 -1.7029218071512282e-09 -2.9999323276404386e-09 ] [ 2.8222719289074513e-09 5.247519364215475e-09 9.819432890972006e-10 ] [ 2.9159787533635047e-09 4.505187036159425e-09 5.684005467985206e-09 ] [ -6.036026422482981e-09 6.566063779358885e-09 -3.930155272588608e-10 ] [ 2.9300774269735585e-09 -1.170606155120546e-09 -5.36665080903168e-12 ] [ 1.077401452817451e-09 3.046047777316925e-09 -6.688867412989965e-09 ] [ 1.7182551180652705e-09 -4.5322143137933626e-09 1.0350237209796288e-09 ] [ 2.575467707535427e-08 1.2740383038172192e-08 4.364349462702284e-09 ] [ 3.1845975547119275e-08 1.321881364522148e-08 1.256596736753165e-10 ] [ 3.443768096222765e-10 -1.7866041329262604e-09 -3.900332997839685e-09 ] [ 5.523401360904269e-09 -2.940668775743019e-09 2.1758535838202692e-10 ] [ 1.6871432513542657e-10 -9.447806421600826e-10 -4.868921183496545e-09 ] [ -4.144818421031958e-09 8.344615532806667e-09 4.680559366460249e-09 ] [ 3.7293341290606595e-09 5.839425892827207e-10 2.448563270799878e-10 ] [ -7.31051851078451e-09 3.753080309192861e-09 3.3403091431112256e-10 ] [ 8.160308504362291e-10 -2.3044675109666783e-09 2.2750771830347232e-09 ] [ 9.971031804138076e-09 2.612644085126185e-08 -2.8084074935193582e-09 ] [ -5.085903001945517e-10 -4.358765236308148e-09 -1.8154325775173013e-09 ] [ -2.7030930596632705e-10 5.481560198016753e-09 -7.129603450464029e-09 ] [ 5.675202308542221e-09 3.1812402416683393e-10 8.123922592650936e-09 ] [ 1.864284865297438e-09 -1.8523861404054048e-09 2.0258706259939393e-09 ] [ 8.18706325175303e-10 6.311198014058112e-09 1.9879456634206446e-09 ] [ 5.097895934822853e-09 -6.190839141732713e-09 -1.2898186700737633e-09 ] [ -9.21808777966948e-09 2.649782555218095e-09 -2.5269978272711425e-10 ] [ -5.612498723222281e-09 6.666624875616384e-11 -7.264542770909357e-10 ] [ 5.696967557500464e-09 -9.25939541774227e-09 2.5466821692342914e-10 ] [ -8.663717205147513e-09 7.537248132012091e-09 2.1584010738898946e-10 ] [ 7.614978852293837e-10 -2.1616198467210817e-10 2.5652316894969275e-09 ] [ -6.219521467815935e-10 2.320237895662875e-09 2.693423923756742e-10 ] [ -7.431658123777226e-09 6.3422542852403754e-09 5.843944030897863e-10 ] [ 6.335837087221085e-09 -1.0798917159391604e-09 -1.9996401107935257e-09 ] [ 4.451760053473918e-09 -4.437441080578504e-09 -1.2961434225020333e-09 ] [ -8.48572131063013e-09 -3.0664349941636184e-09 -7.84482214356628e-09 ] [ -3.3190062823257445e-09 -1.5883729079058356e-09 6.196168141391155e-09 ] [ 4.907148156362861e-10 -2.472400294346479e-09 -5.778971443047546e-09 ] [ -1.9036374313269305e-08 1.2166435787955993e-08 5.381263621119349e-09 ] [ -1.1842047253201833e-08 -1.618990919695245e-08 6.3471114438839925e-09 ] [ -4.930264520865425e-09 -6.737301853107397e-09 -2.0970130357932943e-09 ] [ -1.8953722187061446e-09 3.7993844952752775e-09 -3.0631114389814313e-09 ] [ 4.555211316137677e-09 3.1201977930688458e-09 -6.300443083055668e-09 ] [ -3.380171137219068e-09 5.057325137777969e-09 1.0905539610240912e-08 ] [ -2.7313842463680584e-08 2.4566601907884155e-09 -3.228211093442671e-09 ] [ 6.551005562170635e-09 -3.547556136412216e-09 -1.5023832875791893e-09 ] [ 2.9587621563217134e-09 -9.162614176568564e-10 -1.3396740806361831e-09 ] [ 5.295403296446001e-09 -5.594787942420633e-10 -2.5933860983835975e-09 ] [ 5.973387084445536e-10 -6.359327720182268e-09 2.6498689125379568e-09 ] [ -1.4305186165591776e-09 1.008842392601474e-09 -2.81328115458217e-10 ] [ 3.353646622608737e-09 -1.3730715804708889e-08 3.381864798124915e-09 ] [ 1.1091509858235342e-09 -1.5034799774761268e-09 -6.065972064831706e-10 ] [ 2.705752192200812e-09 -1.4486993157637056e-09 3.3328990762400257e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -216.81113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.473697236152295e-17 } }