{ "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" [ [ -2.0637256 0.2600356 -1.989991 ] [ 7.9214617 -11.8688169 -2.056092 ] [ -0.1051924 -16.4782121 3.7904914 ] [ 0.6447035 -0.1924577 0.7209888 ] [ -0.0787193 0.2398943 1.2675277 ] [ -10.2210112 12.5476306 0.6271918 ] [ -2.9522126 10.7242132 -1.9434586 ] [ 12.3525119 0.4161308 -0.3929865 ] [ -3.2010514 -2.2123507 -5.4396906 ] [ 0.2533278 -2.0604311 7.6913714 ] [ -4.6571071 -12.5552036 0.5189976 ] [ -1.7620446 1.7470472 0.4506501 ] [ -0.5922074 -1.6610603 0.4020258 ] [ -2.3529194 1.2959978 2.4894868 ] [ 0.055508 -0.1127628 -2.8717681 ] [ 0.5366438 1.9539013 0.3525125 ] [ 1.1444975 2.2001356 1.8166675 ] [ -3.316037 1.8386199 1.2982244 ] [ 1.7944231 -0.013208700000000004 -1.4952173 ] [ 0.814596 0.3311829 -3.8347807 ] [ 0.1809451 -0.1446572 1.9325911 ] [ 11.4003983 4.1249101 -1.121306 ] [ 8.6723242 8.1099447 1.4056145 ] [ -1.7220458 0.156315 -0.9119332 ] [ 0.920174 -0.1348954 1.4535414 ] [ -0.2711791 0.05492929999999999 -3.332925 ] [ -0.5355431 2.9987647 2.5041041 ] [ 1.7831956 -0.2123104 0.4488686 ] [ -1.8339875 -0.7338083 -0.6176084 ] [ -0.3841782 -0.5105056 1.744098 ] [ 3.6473245 12.2260586 -0.8891134 ] [ -1.1786276 -1.4183376 -1.4716757 ] [ 1.9006039 -1.0590408 -3.2847293 ] [ 0.7411305 0.8443505 3.245459 ] [ 0.0037056 -1.380552 1.8894529 ] [ 0.9605524 4.5810734 -0.2600421 ] [ 3.1694788 -5.207848 -0.7302514 ] [ -4.0501681 1.1444279 0.438116 ] [ -0.6175876 -0.7619457 0.4850528 ] [ 3.9949706 -4.1544603 -0.7512976 ] [ -3.4241397 3.4566746 0.3465087 ] [ 0.8336308 0.53989 2.029076 ] [ -1.4486798 0.431319 -0.7983177 ] [ -3.5885524 2.5921658 1.0045928 ] [ 5.4109037 -0.2917342 -0.1428023 ] [ 1.6043998 0.004146399999999998 -0.7720122 ] [ -2.7554408 0.1544607 -4.2466911 ] [ -1.9652259 -0.046959299999999995 2.073663 ] [ -1.3895869 -0.9045944 -4.8097621 ] [ -7.6930725 2.4678177 2.2361257 ] [ -4.4489985 -7.2777648 3.1278156 ] [ -0.1822008 -2.6785725 0.9827562 ] [ -0.8090342 1.3944046 -3.9117149 ] [ 4.5162142 1.085302 -2.3294767 ] [ -0.8586239 1.6408357 3.4014389 ] [ -13.2475357 0.8627172 -0.959802 ] [ 1.1209093 -1.1256081 -2.519953 ] [ 1.7364851 0.7292066 0.3325278 ] [ 1.0064119 -0.1136908 -1.7065214 ] [ 0.1850556 -3.5176587 1.3754334 ] [ -1.1044868 1.1632704 -1.4213176 ] [ 3.7616281 -7.5848787 2.1424743 ] [ 1.818526 -0.0641091 -1.4738423 ] [ -0.0755178 2.1606615 2.4616336 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.3064529353076308e-09 4.1662296232817036e-10 -3.188317082070294e-09 ] [ 1.2691580842865918e-08 -1.9015941110404317e-08 -3.2942225597543282e-09 ] [ -1.685368053543816e-10 -2.640100639671607e-08 6.0730367524579475e-09 ] [ 1.032928883558019e-09 -3.083512299733818e-10 1.1551514087356993e-09 ] [ -1.2612222310483622e-10 3.843530420897862e-10 2.030803263887762e-09 ] [ -1.63758653204923e-08 2.01035205593834e-08 1.0048720469964012e-09 ] [ -4.729966046320389e-09 1.7182083807074368e-08 -3.1137639580663525e-09 ] [ 1.9790905937386946e-08 6.667150444477273e-10 -6.29633787777441e-10 ] [ -5.128649757312987e-09 -3.5445765977535436e-09 -8.71534517550944e-09 ] [ 4.0587588190262516e-10 -3.3011745643869178e-09 1.2322935540495868e-08 ] [ -7.461508177655502e-09 -2.0115653843032683e-08 8.315258278220783e-10 ] [ -2.8231066861858765e-09 2.7990782023351247e-09 7.220210603297634e-10 ] [ -9.488208587618917e-10 -2.6613120003250303e-09 6.441163430251572e-10 ] [ -3.7697924843653e-09 2.0764173928754054e-09 3.988597581611431e-09 ] [ 8.8933620600072e-11 -1.806659233444152e-10 -4.601079748086576e-09 ] [ 8.597981571409692e-10 3.130495008002224e-09 5.647872906929251e-10 ] [ 1.8336871521714149e-09 3.52500584995157e-09 2.910622220247195e-09 ] [ -5.312876998879458e-09 2.9457938425874166e-09 2.0799847993686697e-09 ] [ 2.8749827623298454e-09 -2.1162670505515807e-11 -2.3956022208125683e-09 ] [ 1.305126677349864e-09 5.306135039603586e-10 -6.143996034054164e-09 ] [ 2.899060112567934e-10 -2.3176638577986481e-10 3.0963523034963575e-09 ] [ 1.8265451774553324e-08 6.6088345795706035e-09 -1.796530272764004e-09 ] [ 1.3894595195712742e-08 1.2993563901372139e-08 2.252042708311593e-09 ] [ -2.759021543437837e-09 2.5044424054371004e-10 -1.4610780648088487e-09 ] [ 1.474281282014316e-09 -2.161262579140836e-10 2.3288300676316477e-09 ] [ -4.344768176491494e-10 8.80064409819762e-11 -5.33993455787445e-09 ] [ -8.580346413199255e-10 4.8045507332040205e-09 4.012017078123599e-09 ] [ 2.8569943241716103e-09 -3.4015876203519363e-10 7.191667826562924e-10 ] [ -2.938371919548075e-09 -1.1756905120952622e-09 -9.895177474421255e-10 ] [ -6.155213353321789e-10 -8.179201438461504e-10 2.794353063006132e-09 ] [ 5.843658090515733e-09 1.958830541483475e-08 -1.4245167144562957e-09 ] [ -1.8883696009074982e-09 -2.2724273618436384e-09 -2.357884419365594e-09 ] [ 3.0451031590692723e-09 -1.6967704242126672e-09 -5.262716533475176e-09 ] [ 1.187421969844737e-09 1.352798642006217e-09 5.199798576405006e-09 ] [ 5.9370257349504e-12 -2.211888156421968e-09 3.0272372874235385e-09 ] [ 1.5389746110126217e-09 7.339688760118936e-09 -4.166333764762914e-10 ] [ 5.078064875318359e-09 -8.343892379023632e-09 -1.1699917300257876e-09 ] [ -6.489084693592175e-09 1.8335756406776886e-09 7.01939218181544e-10 ] [ -9.894844221681384e-10 -1.2207715969167738e-09 7.771402624162752e-10 ] [ 6.40064854883696e-09 -6.656179219540631e-09 -1.2037114599002785e-09 ] [ -5.4860766188917695e-09 5.538203275461297e-09 5.551681426177158e-10 ] [ 1.3356237891427273e-09 8.649991429302599e-10 3.250938155810184e-09 ] [ -2.321040925707793e-09 6.91049223600246e-10 -1.2790459654486218e-09 ] [ -5.749494805164622e-09 4.153107476213917e-09 1.609535110844635e-09 ] [ 8.669223476964146e-09 -4.674097185786828e-10 -2.2879450834145818e-10 ] [ 2.570531871154273e-09 6.643265195217597e-12 -1.236899908002935e-09 ] [ -4.414702866130267e-09 2.474733244112838e-10 -6.803949252235757e-09 ] [ -3.148639017511621e-09 -7.523709320899619e-11 3.3223744053903416e-09 ] [ -2.2263636620924947e-09 -1.4493200109272496e-09 -7.706088451718773e-09 ] [ -1.2325661003167966e-08 3.9538798559116216e-09 3.582668347226894e-09 ] [ -7.1280814414010494e-09 -1.1660264710307683e-08 5.01131306978069e-09 ] [ -2.919178644561072e-10 -4.291546271974965e-09 1.5745490205586307e-09 ] [ -1.2962156913468828e-09 2.2340824684621164e-09 -6.267258211649647e-09 ] [ 7.235772865379003e-09 1.738845505233468e-09 -3.732233138187427e-09 ] [ -1.3756671499739527e-09 2.6289086187730337e-09 5.4497059275586625e-09 ] [ -2.1224892156620834e-08 1.3822253395899048e-09 -1.5377723376664681e-09 ] [ 1.7958946892932963e-09 -1.8034229968611355e-09 -4.037409815378202e-09 ] [ 2.7821558525091533e-09 1.1683177758785844e-09 5.327682713154252e-10 ] [ 1.6124496303595446e-09 -1.821527432607672e-10 -2.7341487125009677e-09 ] [ 2.9649175831085036e-10 -5.635910575526816e-09 2.2036872551031756e-09 ] [ -1.7695829435214314e-09 1.863764653903834e-09 -2.2772018482129587e-09 ] [ 6.026792647617815e-09 -1.2152315424864296e-08 3.432622262405506e-09 ] [ 2.913599865521484e-09 -1.027141020467694e-10 -2.3613556952608185e-09 ] [ -1.209928546110852e-10 3.4617613692833906e-09 3.943971835389302e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -219.89299 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.523074105583956e-17 } }