{ "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" [ [ 3.7950879 -3.1088277 -1.3926434 ] [ 0.7402769 -0.9366545 -0.086299 ] [ 1.8018617 3.1240539 -0.4247665 ] [ -6.238903 4.1206546 -2.0498307 ] [ -2.8208716 2.9445712 1.3381462 ] [ -3.4389302 1.8040474 -2.0510854 ] [ -2.614878 -0.5194124 -0.1262476 ] [ -4.0073924 -1.786193 0.2419536 ] [ 5.6101105 2.4535229 -2.3592272 ] [ -2.5218229 -0.6643723 2.2339542 ] [ 7.9727088 -2.2917557 1.3330116 ] [ -1.8285548 -3.4132304 -1.7209354 ] [ 2.3243171 -0.6563138 -3.5842228 ] [ 5.4817827 -4.0086152 1.9982041 ] [ -0.7684502 -0.418803 2.4793048 ] [ 6.4704463 -2.5299915 0.0797669 ] [ -1.4755052 -3.7403569 1.4014003 ] [ -1.7397199 1.1826298 0.5156946 ] [ -0.3706951 2.1609224 0.5807614 ] [ 0.8342807 -1.6569333 -1.9311534 ] [ -0.7826959 1.3930209 -0.1754328 ] [ 3.0489923 2.7395272 1.7416798 ] [ -2.8072394 -2.7808796 -1.6507798 ] [ 6.8536883 -0.6183831 -1.6169408 ] [ 1.418363 -1.2819633 -4.892817 ] [ 2.9588006 1.3937135 4.1741893 ] [ 1.0994696 -0.2189981 0.4135643 ] [ -2.0757911 -0.0262061 0.5909445 ] [ -1.134273 1.5008244 -0.6194106 ] [ -0.373106 0.1421152 -1.6091456 ] [ -6.1326655 -1.7715756 3.6777716 ] [ 1.0803715 1.8046425 -0.8254528 ] [ 3.826811 1.2670611 -1.3596504 ] [ -1.9418232 0.3972749 1.8506483 ] [ -3.2676961 2.6857451 -0.8490737 ] [ 0.1893087 2.5110506 1.1683456 ] [ 2.1354043 2.2141433 -0.8590986 ] [ -2.4779101 -3.7252862 -1.4732922 ] [ 0.9561909 -1.6725943 -1.4418858 ] [ 1.0935437 3.1635057 2.887373 ] [ 1.2045222 -1.1613455 0.8318691 ] [ -0.1573283 -4.6864106 0.9375585 ] [ 5.4022251 1.4961248 0.2027944 ] [ 2.337726 1.7665691 0.1995786 ] [ -5.4489925 3.7293655 -6.8507715 ] [ -0.0505015 0.6710899 4.348146 ] [ 3.8243452 7.6510598 -1.1081275 ] [ 2.2918086 -0.7351653 0.3064521 ] [ -3.2917809 1.6576095 5.025467 ] [ 0.7260501 -0.3171849 -1.8559198 ] [ 2.5987904 -1.5691149 3.8703421 ] [ -1.0422417 0.650598 -6.16308 ] [ -0.5913907 -6.7397996 1.3085663 ] [ 0.0454545 1.390638 -1.9275273 ] [ -2.6673305 -2.6979508 2.9813767 ] [ -2.6285291 -0.2630587 -0.7451074 ] [ -4.9276278 0.4685082 3.3118047 ] [ 3.0238884 1.1555985 -0.4806219 ] [ -2.0499429 -2.7292933 -1.325801 ] [ -1.034438 -1.0648804 -2.5539419 ] [ 0.5453309 -2.19656 8.8847674 ] [ -3.5860145 2.428746 0.1793527 ] [ -3.0136619 -0.1861499 1.0296688 ] [ -2.3832542 0.10532599999999999 -6.0141688 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.080401107260968e-09 -4.980891059035436e-09 -2.231260696591423e-09 ] [ 1.1860543420982995e-09 -1.5006859416671135e-09 -1.382662401984192e-10 ] [ 2.8869006896549433e-09 5.005286120699061e-09 -6.805509555990432e-10 ] [ -9.995824526038982e-09 6.602016462511976e-09 -3.2841908241380983e-09 ] [ -4.519534527798689e-09 4.717723134921001e-09 2.143946556852361e-09 ] [ -5.509773567003069e-09 2.890402567095026e-09 -3.286201075144216e-09 ] [ -4.189496397844263e-09 -8.32190403833618e-10 -2.0227095315211008e-10 ] [ -6.420550413651602e-09 -2.8617966648366146e-09 3.876524012383949e-10 ] [ 8.9883878832046e-09 3.930977028977416e-09 -3.7798986629954455e-09 ] [ -4.0404056921780564e-09 -1.0644417665671239e-09 3.5791891911779675e-09 ] [ 1.2773687643806424e-08 -3.6717974031251385e-09 2.1357200207752016e-09 ] [ -2.92966775041162e-09 -5.468597948283833e-09 -2.7572424637870964e-09 ] [ 3.723966516945656e-09 -1.051530626268407e-09 -5.742557973898314e-09 ] [ 8.7827840822459e-09 -6.422509555223517e-09 3.201475892606705e-09 ] [ -1.231192944689084e-09 -6.709963753209024e-10 3.97228418639722e-09 ] [ 1.0366797788001864e-08 -4.053493232122724e-09 1.2780066229369153e-10 ] [ -2.3640199353088284e-09 -5.992712378627964e-09 2.2452907970421064e-09 ] [ -2.787338550520514e-09 1.8947818166213797e-09 8.262338315928077e-10 ] [ -5.939190226651181e-10 3.4621793486430263e-09 9.304823373430771e-10 ] [ 1.3366650327246586e-09 -2.6546997954849925e-09 -3.0940488286584305e-09 ] [ -1.2540170721760148e-09 2.231865518265775e-09 -2.8107433068148226e-10 ] [ 4.8850241800592205e-09 4.389206431885686e-09 2.79047865647962e-09 ] [ -4.497693335668619e-09 -4.455460280379656e-09 -2.6448408016489e-09 ] [ 1.0980819160510496e-08 -9.907589455178285e-10 -2.590624746977649e-09 ] [ 2.2724680384077506e-09 -2.0539316279836168e-09 -7.839157007252794e-09 ] [ 4.740521146929013e-09 2.232975185793341e-09 6.6877885072535175e-09 ] [ 1.7615444884003277e-09 -3.508736358196205e-10 6.626030526575175e-10 ] [ -3.325783970084715e-09 -4.198680074234688e-11 9.467974620903455e-10 ] [ -1.8173056822046787e-09 2.4045857656061876e-09 -9.924051819957005e-10 ] [ -5.977817102802048e-10 2.2769365090031617e-10 -2.5781354597831885e-09 ] [ -9.825613287286742e-09 -2.8383770082997327e-09 5.892439674162209e-09 ] [ 1.7309459590786274e-09 2.891356022402064e-09 -1.3225211777338984e-09 ] [ 6.131227116420269e-09 2.030055671545131e-09 -2.1784000833413686e-09 ] [ -3.1111437327670428e-09 6.365045568106579e-10 2.9650654395832647e-09 ] [ -5.235426295299339e-09 4.303038008648159e-09 -1.360366031476153e-09 ] [ 3.0330597325404095e-10 4.023146564965813e-09 1.8718960053345487e-09 ] [ 3.4212948454157892e-09 3.5474486303609606e-09 -1.376427691882011e-09 ] [ -3.97004963066419e-09 -5.9685664554288735e-09 -2.360474318446998e-09 ] [ 1.5319867050017107e-09 -2.6797914835433418e-09 -2.310155718623505e-09 ] [ 1.7520501499631288e-09 5.068494872307538e-09 4.626081516129159e-09 ] [ 1.9298573080745816e-09 -1.8606806087712863e-09 1.3328012235859374e-09 ] [ -2.5206772405020867e-10 -7.5084574987893e-09 1.5021343093323168e-09 ] [ 8.655318755518943e-09 2.397056176359076e-09 3.249124465091636e-10 ] [ 3.745449943036301e-09 2.8303557110476973e-09 3.197601669319949e-10 ] [ -8.730248390414544e-09 5.9751022145181026e-09 -1.0976145931742947e-08 ] [ -8.09123226153312e-11 1.07520454823501e-09 6.966497865025037e-09 ] [ 6.1272764693087e-09 1.2258349135902724e-08 -1.775415973365552e-09 ] [ 3.671882158268379e-09 -1.1778646560834183e-09 4.909903900150637e-10 ] [ -5.274014398775983e-09 2.6557831873159776e-09 8.051685736001913e-09 ] [ 1.1632604957495022e-09 -5.081862312507859e-10 -2.9735113136398117e-09 ] [ 4.163721221239481e-09 -2.51399920812893e-09 6.200971627117975e-09 ] [ -1.6698552849628472e-09 1.0423729051392385e-09 -9.874342688120065e-09 ] [ -9.475123532985466e-10 -1.0798349347997192e-08 2.0965543326267594e-09 ] [ 7.28261372101536e-11 2.2280476915960705e-09 -3.0882391760137477e-09 ] [ -4.273534567046774e-09 -4.322593695828657e-09 4.776692046537856e-09 ] [ -4.211367871112466e-09 -4.214664990380409e-10 -1.193793656265074e-09 ] [ -7.894930057164137e-09 7.506328846930906e-10 5.306096062995558e-09 ] [ 4.8448032983883195e-09 1.8514728997315488e-09 -7.700411716244755e-10 ] [ -3.2843705883549523e-09 -4.372809916566081e-09 -2.124167366033261e-09 ] [ -1.6573523792671105e-09 -1.7061264808281526e-09 -4.091866003061532e-09 ] [ 8.737164185798226e-10 -3.519277078184448e-09 1.4234966609526001e-08 ] [ -5.745428593749802e-09 3.891280059061517e-09 2.8735470281735617e-10 ] [ -4.828418639175707e-09 -2.982450177442579e-10 1.6497112785271913e-09 ] [ -3.8183941606634075e-09 1.6875085476238078e-10 -9.635760644904792e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -197.47452 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.163890591477021e-17 } }