{ "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" [ 10.5567 0 0 ] "si-unit" "m" "si-value" [ 1.05567e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.20932 9.18827 0 ] "si-unit" "m" "si-value" [ -5.20932e-10 9.18827e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.18786 0.0666744 10.2608 ] "si-unit" "m" "si-value" [ -1.8786e-11 6.66744e-12 1.02608e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.283194 -0.386785 -0.118492 ] [ 0.246866 -0.21606 2.82281 ] [ -0.0836219 0.018241 5.31007 ] [ -0.293717 -0.384344 7.57864 ] [ -1.43069 2.29331 0.309847 ] [ -1.35745 2.29447 2.1477 ] [ -1.11282 2.30117 5.57605 ] [ -1.0529 2.25523 8.14996 ] [ -2.62682 4.22592 0.0845056 ] [ -2.66632 4.56224 2.24299 ] [ -2.64219 4.52795 5.15093 ] [ -2.76087 4.78142 7.5503 ] [ -4.00447 6.84306 0.412644 ] [ -3.96448 6.83552 2.60425 ] [ -4.07483 7.14381 5.12813 ] [ -3.99024 6.90046 7.83447 ] [ 2.35797 0.0901357 0.0940267 ] [ 2.51848 -0.254897 2.80735 ] [ 2.64123 -0.0262436 4.86429 ] [ 2.73169 0.0293697 7.63944 ] [ 1.38694 2.32567 -0.401338 ] [ 1.45014 2.0066 2.29982 ] [ 1.36777 2.17575 5.22748 ] [ 1.51859 1.95452 7.72489 ] [ -0.378423 4.6342 0.275746 ] [ 0.0875928 4.5683 2.62757 ] [ -0.120729 4.56872 5.4428 ] [ -0.0516659 4.27553 7.44726 ] [ -1.39631 6.57015 0.0521927 ] [ -1.387 6.84455 2.30582 ] [ -1.53804 6.92144 4.91508 ] [ -1.19435 7.14921 7.61543 ] [ 5.2052 -0.133658 -0.326167 ] [ 5.25814 0.274849 2.5427 ] [ 5.06618 -0.15995 5.22987 ] [ 5.52975 0.245104 7.58035 ] [ 3.89444 2.46247 0.478395 ] [ 3.97094 2.28276 2.83332 ] [ 3.90668 2.19487 5.2001 ] [ 3.61141 2.02753 8.00859 ] [ 2.56457 4.62627 0.184413 ] [ 2.74023 4.60475 3.00429 ] [ 2.8301 4.45212 4.83026 ] [ 2.31952 4.47625 7.8889 ] [ 1.42524 6.85023 -0.353147 ] [ 1.25681 6.75802 2.46119 ] [ 1.33486 6.66836 5.0109 ] [ 1.43576 6.51188 8.1871 ] [ 7.90631 0.00393241 0.0217092 ] [ 7.99511 -0.220645 2.86668 ] [ 8.02727 -0.0375298 5.19594 ] [ 8.09865 0.104076 8.00312 ] [ 6.83826 2.22125 0.296203 ] [ 6.46766 2.34085 2.33837 ] [ 6.55129 2.30089 5.1773 ] [ 6.59436 2.26185 7.90285 ] [ 5.54281 4.6208 -0.248744 ] [ 5.2397 4.807 2.51143 ] [ 5.16397 4.38995 5.13699 ] [ 5.53256 4.22852 8.04871 ] [ 3.66559 7.00483 -0.027141 ] [ 3.91947 6.59916 2.92411 ] [ 3.99698 6.80761 4.87381 ] [ 4.10733 6.47995 7.72695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.83194e-11 -3.86785e-11 -1.18492e-11 ] [ 2.4686600000000003e-11 -2.1606e-11 2.82281e-10 ] [ -8.36219e-12 1.8241000000000003e-12 5.31007e-10 ] [ -2.9371700000000003e-11 -3.8434400000000004e-11 7.57864e-10 ] [ -1.43069e-10 2.29331e-10 3.09847e-11 ] [ -1.35745e-10 2.2944700000000002e-10 2.1477e-10 ] [ -1.11282e-10 2.30117e-10 5.576050000000001e-10 ] [ -1.0528999999999999e-10 2.2552300000000001e-10 8.14996e-10 ] [ -2.62682e-10 4.2259200000000005e-10 8.45056e-12 ] [ -2.66632e-10 4.5622400000000004e-10 2.2429899999999998e-10 ] [ -2.64219e-10 4.52795e-10 5.15093e-10 ] [ -2.76087e-10 4.78142e-10 7.5503e-10 ] [ -4.004470000000001e-10 6.843060000000001e-10 4.12644e-11 ] [ -3.96448e-10 6.83552e-10 2.60425e-10 ] [ -4.0748300000000005e-10 7.143810000000001e-10 5.128129999999999e-10 ] [ -3.99024e-10 6.90046e-10 7.83447e-10 ] [ 2.35797e-10 9.01357e-12 9.402670000000001e-12 ] [ 2.51848e-10 -2.54897e-11 2.80735e-10 ] [ 2.6412300000000004e-10 -2.62436e-12 4.864289999999999e-10 ] [ 2.73169e-10 2.93697e-12 7.63944e-10 ] [ 1.3869400000000002e-10 2.3256700000000003e-10 -4.01338e-11 ] [ 1.45014e-10 2.0066000000000003e-10 2.29982e-10 ] [ 1.36777e-10 2.17575e-10 5.22748e-10 ] [ 1.5185900000000002e-10 1.95452e-10 7.724890000000001e-10 ] [ -3.7842300000000005e-11 4.6342e-10 2.75746e-11 ] [ 8.75928e-12 4.5683e-10 2.62757e-10 ] [ -1.20729e-11 4.56872e-10 5.4428e-10 ] [ -5.16659e-12 4.27553e-10 7.44726e-10 ] [ -1.39631e-10 6.57015e-10 5.21927e-12 ] [ -1.387e-10 6.84455e-10 2.3058200000000004e-10 ] [ -1.53804e-10 6.92144e-10 4.91508e-10 ] [ -1.19435e-10 7.149210000000001e-10 7.615430000000001e-10 ] [ 5.2052e-10 -1.33658e-11 -3.26167e-11 ] [ 5.25814e-10 2.7484900000000003e-11 2.5427e-10 ] [ 5.06618e-10 -1.5995000000000002e-11 5.22987e-10 ] [ 5.52975e-10 2.45104e-11 7.580350000000001e-10 ] [ 3.89444e-10 2.4624700000000003e-10 4.78395e-11 ] [ 3.97094e-10 2.2827600000000003e-10 2.83332e-10 ] [ 3.9066800000000004e-10 2.1948699999999998e-10 5.2001e-10 ] [ 3.61141e-10 2.0275300000000002e-10 8.008590000000001e-10 ] [ 2.56457e-10 4.62627e-10 1.84413e-11 ] [ 2.7402300000000003e-10 4.60475e-10 3.00429e-10 ] [ 2.8301e-10 4.45212e-10 4.83026e-10 ] [ 2.3195199999999998e-10 4.4762500000000004e-10 7.8889e-10 ] [ 1.4252400000000002e-10 6.85023e-10 -3.53147e-11 ] [ 1.25681e-10 6.75802e-10 2.46119e-10 ] [ 1.33486e-10 6.66836e-10 5.010900000000001e-10 ] [ 1.43576e-10 6.51188e-10 8.1871e-10 ] [ 7.906310000000001e-10 3.93241e-13 2.1709200000000002e-12 ] [ 7.995110000000001e-10 -2.2064500000000002e-11 2.8666800000000004e-10 ] [ 8.02727e-10 -3.7529800000000004e-12 5.19594e-10 ] [ 8.09865e-10 1.04076e-11 8.003119999999999e-10 ] [ 6.838260000000001e-10 2.22125e-10 2.96203e-11 ] [ 6.467660000000001e-10 2.34085e-10 2.33837e-10 ] [ 6.55129e-10 2.30089e-10 5.1773e-10 ] [ 6.59436e-10 2.26185e-10 7.90285e-10 ] [ 5.542810000000001e-10 4.6208e-10 -2.48744e-11 ] [ 5.2397e-10 4.807e-10 2.51143e-10 ] [ 5.16397e-10 4.38995e-10 5.13699e-10 ] [ 5.532560000000001e-10 4.2285199999999996e-10 8.04871e-10 ] [ 3.66559e-10 7.004830000000001e-10 -2.7141e-12 ] [ 3.91947e-10 6.599160000000001e-10 2.9241100000000004e-10 ] [ 3.99698e-10 6.80761e-10 4.87381e-10 ] [ 4.10733e-10 6.47995e-10 7.726950000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7174105 0.6710367000000002 -0.54869 ] [ -1.2908718 0.3938217000000001 0.0694178 ] [ 0.4322884 0.44845220000000013 -0.8842754 ] [ 1.0332781 0.4770686000000001 0.1809631 ] [ 1.4798592 -1.2529453000000002 -3.4394779 ] [ 0.3831817 -0.6922372000000001 3.213226 ] [ -0.2941719 -0.40644390000000014 0.5493136 ] [ -0.16487 -0.7851351000000002 0.4783473 ] [ -0.6541086 0.7225894000000002 -2.3676117 ] [ -0.4374783 0.6977517000000001 2.4803166 ] [ 0.339553 0.06623780000000001 -0.1557944 ] [ 0.2621503 0.24013970000000007 0.1747174 ] [ -0.0769788 0.06794300000000002 -1.6984325 ] [ 0.0641422 -0.5895092000000001 1.6863097 ] [ 0.0465556 -0.2972387000000001 0.3547443 ] [ 0.4808572 0.4027364000000001 0.0847843 ] [ 0.2807187 0.059242700000000016 -0.1160085 ] [ 1.4639124 -0.0233858 -2.7792985 ] [ -0.5102798 0.7379621000000001 2.7906589 ] [ -0.5424481 -1.8964733000000005 -0.4974386 ] [ -1.1371444 0.5743536000000001 1.8188508 ] [ -0.1812266 0.15625240000000004 0.0086112 ] [ 0.4350978 -0.03643950000000001 0.1604902 ] [ -3.3569938 0.4413970000000001 -2.398911 ] [ 2.3238443 -1.1990857000000001 0.0124243 ] [ 0.5031901 -0.23491430000000005 0.28953 ] [ 0.1009875 0.5694748000000001 -3.3524495 ] [ 0.2377228 0.17228180000000004 2.5078646 ] [ -0.3583726 1.3184928000000002 -1.4567964 ] [ -0.2582158 0.07134250000000002 1.3481983 ] [ 0.0798173 -0.27195610000000003 0.1061525 ] [ 0.3614523 -0.5240462000000001 0.0917555 ] [ 0.2280667 -0.17578470000000002 0.4048236 ] [ -0.1208689 -0.6574483000000001 0.3015549 ] [ -0.0401617 -0.0007995 -0.1949398 ] [ -0.7961795 -0.23778800000000005 -0.2396734 ] [ 0.7867831 0.6777857000000002 -0.6196252 ] [ -0.4108682 0.6453724000000001 0.3160224 ] [ -0.2432207 -0.27721500000000004 0.8481472 ] [ 3.5960785 1.5913518000000004 -0.0484391 ] [ -0.2616638 -0.4572814000000001 0.6564156 ] [ -0.4648026 -0.8458436000000003 -3.4827889 ] [ -0.6874767 -0.6337936000000001 2.6267772 ] [ 0.3202446 -1.5767241000000005 -0.0231162 ] [ -1.4486789 1.1722749000000001 3.1496898 ] [ 0.2424838 -0.26163120000000006 -0.4138202 ] [ -0.0921848 0.36957770000000006 -0.5497026 ] [ -0.7427222 0.9198233000000002 -2.73752 ] [ -0.7194419 0.4969711000000001 0.5315384 ] [ 0.0805311 0.13539810000000002 -0.6617976 ] [ -0.0523667 -0.05158300000000001 0.4532752 ] [ -0.9059853 0.34305270000000004 -0.3906058 ] [ -0.9559728 -0.9171431000000002 -3.1226316 ] [ -0.5077964 0.7791373000000003 2.9921237 ] [ 0.0276031 -0.24166040000000005 -0.0923525 ] [ 1.2505765 -0.6721838000000001 0.5056579 ] [ -0.423113 0.17304390000000003 3.4115478 ] [ 0.5000625 -1.7282428000000005 0.1057765 ] [ 0.1442313 0.4945198000000001 0.1069255 ] [ -1.0661323 0.5841172000000001 -3.0815071 ] [ 0.801767 -1.1369605000000003 0.227213 ] [ -0.0887341 1.1363309000000001 -3.0089106 ] [ 0.396859 0.26498000000000005 3.4880261 ] [ -0.1097755 0.009579600000000002 -0.1695761 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.149418340086257e-09 1.075119321296468e-09 -8.7909829730946e-10 ] [ -2.068204635449521e-09 6.30971925702158e-10 1.112195771436852e-10 ] [ 6.926023736292456e-10 7.18499636305895e-10 -1.4167653839010036e-09 ] [ 1.6554940282439154e-09 7.643481637350926e-10 2.8993485043620537e-10 ] [ 2.370995831849933e-09 -2.0074396833401206e-09 -5.510651124539388e-09 ] [ 6.139247663163978e-10 -1.109086267025585e-09 5.148155616961284e-09 ] [ -4.713153445593846e-10 -6.511949196118328e-10 8.800974146584223e-10 ] [ -2.6415086164757997e-10 -1.2579251117532537e-09 7.663968669969882e-10 ] [ -1.0479975150184524e-09 1.1577158526560798e-09 -3.793332144125018e-09 ] [ -7.009175101420422e-10 1.117921470073778e-09 3.973905301442324e-09 ] [ 5.44023882604602e-10 1.0612465544756522e-10 -2.496101473880496e-10 ] [ 4.200110852560902e-10 3.847462162357699e-10 2.799281358332316e-10 ] [ -1.233336346733592e-10 1.0885668704386203e-10 -2.721188865926205e-09 ] [ 1.027671340933548e-10 -9.44497865768033e-10 2.7017659990275498e-09 ] [ 7.45902945018504e-11 -4.762288998605359e-10 5.683630285046862e-10 ] [ 7.704181701306648e-10 6.452548497412778e-10 1.358394243900462e-10 ] [ 4.4976094186685576e-10 9.491726967507183e-11 -1.85866108045389e-10 ] [ 2.3454462415028612e-09 -3.7468182327397206e-11 -4.452927115611249e-09 ] [ -8.175583723621931e-10 1.1823456333975715e-09 4.471128483044143e-09 ] [ -8.690976709776954e-10 -3.038485208264873e-09 -7.969845017696724e-10 ] [ -1.8219061871639496e-09 9.202159175737826e-10 2.9141202524922074e-09 ] [ -2.903570239792644e-10 2.5034394428642167e-10 1.3796663430700799e-11 ] [ 6.971035286648052e-10 -5.838251545464302e-11 2.571336484259868e-10 ] [ -5.378497026842869e-09 7.071959597176981e-10 -3.843479151245574e-09 ] [ 3.7232090385140865e-09 -1.921147090703534e-09 1.99059231538062e-11 ] [ 8.061994206801234e-10 -3.763742024524663e-10 4.6387820084202e-10 ] [ 1.61799812826075e-10 9.123992182118233e-10 -5.371216255564983e-09 ] [ 3.808739155290552e-10 2.7602587442346127e-10 4.018042063355757e-09 ] [ -5.741762059858284e-10 2.1124583562572357e-09 -2.3340451525753176e-09 ] [ -4.137073212896172e-10 1.1430328651114503e-10 2.160051814258522e-09 ] [ 1.278814130489682e-10 -4.3572170889376746e-10 1.7007505514068498e-10 ] [ 5.791104293655582e-10 -8.39614576776491e-10 1.4700851814098702e-10 ] [ 3.654031377334878e-10 -2.8163813895469983e-10 6.485989128117624e-10 ] [ -1.936533273572826e-10 -1.0533483043230224e-09 4.831442146482066e-10 ] [ -6.43461373217178e-11 -1.2809402188829999e-12 -3.123279925966332e-10 ] [ -1.275620191369803e-09 -3.809783774455921e-10 -3.8399912127133563e-10 ] [ 1.2605654988460853e-09 1.085932411399334e-09 -9.927490172775768e-10 ] [ -6.582834296936389e-10 1.0340005795085017e-09 5.063237051006015e-10 ] [ -3.896825224451238e-10 -4.441473955943101e-10 1.3588816260325248e-09 ] [ 5.761552946729769e-09 2.549626670433842e-09 -7.760799419198939e-11 ] [ -4.192316263236492e-10 -7.326455742428077e-10 1.0516937365130905e-09 ] [ -7.446958651424484e-10 -1.3551908519384428e-09 -5.580042996734563e-09 ] [ -1.101459105159428e-09 -1.0154492966987425e-09 4.2085610525639444e-09 ] [ 5.130884152846764e-10 -2.52619051128468e-09 -3.70362355068708e-11 ] [ -2.3210394837488225e-09 1.8781914534046867e-09 5.046359401908133e-09 ] [ 3.885018784835292e-10 -4.191793953653809e-10 -6.630130551172069e-10 ] [ -1.4769633256996319e-10 5.921287553874619e-10 -8.807206613690485e-10 ] [ -1.1899721543930748e-09 1.4737193986687725e-09 -4.38599057910768e-09 ] [ -1.1526730017005645e-09 7.962354841932776e-10 8.516184045537455e-10 ] [ 1.290250467303174e-10 2.1693167210799544e-10 -1.0603166511572783e-09 ] [ -8.39007031396878e-11 -8.264507731162202e-11 7.262269342116768e-10 ] [ -1.4515484784074801e-09 5.496310201706119e-10 -6.258194858648772e-10 ] [ -1.531637282899555e-09 -1.4694252448543258e-09 -5.0030073861100345e-09 ] [ -8.135795269093177e-10 1.2483155767378487e-09 4.793910678177626e-09 ] [ 4.42250418459654e-11 -3.871826462430937e-10 -1.47965017591485e-10 ] [ 2.003644447329501e-09 -1.0769571781133295e-09 8.101532721775086e-10 ] [ -6.77901762141642e-10 2.7724689323623263e-10 5.465902170934105e-09 ] [ 8.011884530396249e-10 -2.768950232038736e-09 1.6947263672630098e-10 ] [ 2.310840187514442e-10 7.923080686103534e-10 1.71313537678767e-10 ] [ -1.7081322598126782e-09 9.35858929357505e-10 -4.937118673125102e-09 ] [ 1.284572353312278e-09 -1.8216115468809575e-09 3.64035359541042e-10 ] [ -1.421677016590194e-10 1.8206028164721908e-09 -4.8208062571149205e-09 ] [ 6.35838216792606e-10 4.2454476447732007e-10 5.5884339162021474e-09 ] [ -1.75879741085667e-10 1.5348211283066403e-11 -2.716908651048474e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -237.23432 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.800912842868788e-17 } }