{ "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" [ 10.6893572 0 0 ] "si-unit" "m" "si-value" [ 1.06893572e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6893572 0 ] "si-unit" "m" "si-value" [ 0.0 1.06893572e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6893572 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06893572e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.8041072 1.4525752 1.7389132 ] [ 3.7755692 1.8618252 0.4301788 ] [ 0.9716442000000001 3.3492292 0.5609447000000001 ] [ 4.8887712 3.0125812 2.1375262 ] [ 2.0887912 2.4729812 3.949492199999999 ] [ 3.8175632 0.893975 4.047542200000001 ] [ 1.4260132 4.8197452 3.8843002 ] [ 0.1970868 3.1542512 5.271383200000001 ] [ 3.8322832 4.9168412 3.1384452 ] [ 0.5072257 0.6030915000000001 7.740278200000001 ] [ 3.4619432 2.1655272 5.9610652 ] [ 1.7706442 3.4129932 6.990520200000001 ] [ 4.776700200000001 4.0794522 5.3646262 ] [ 5.3060912 4.3723092 7.8130062 ] [ 3.2271512 5.2146662 6.8869432 ] [ 0.3003482 2.8906862 8.9028142 ] [ 4.111803200000001 3.9278842 9.8794332 ] [ 2.8180662 6.399420200000001 1.5210082 ] [ 5.0157792 6.8854072 0.9178782000000001 ] [ 1.4816102 9.8530152 2.4661042 ] [ 3.5835682 8.721667199999999 1.7555872 ] [ 4.6544602 10.3208372 0.1727738 ] [ 2.3886272 6.5818002 5.1926462 ] [ 1.0191762 10.3174072 4.7328302 ] [ 4.6830752 8.565600199999999 3.9085102 ] [ 1.3708222 8.4330822 6.1212602 ] [ 3.2247712 9.7333242 5.359230200000001 ] [ 2.5457862 5.7137672 9.9516072 ] [ 0.2455317 5.4071422 8.9415582 ] [ 4.1192782 7.367382200000001 9.478289199999999 ] [ 0.4270172 8.5484122 9.513133199999999 ] [ 2.4768632 8.6236392 8.2620022 ] [ 1.7300662 10.5697672 9.6545052 ] [ 3.9984602 10.4269472 8.576962199999999 ] [ 6.6273942 1.3565192 2.1015402 ] [ 10.6758672 1.2885102 0.1134848 ] [ 7.1824082 5.1748782 2.6562912 ] [ 5.8705622 4.605875200000001 0.7083980000000001 ] [ 9.1265392 4.104731200000001 1.9863282 ] [ 8.154285199999999 0.4328454 4.8250862 ] [ 8.5380842 2.1092032 3.2154162 ] [ 7.142480200000001 3.6073522 4.4727572 ] [ 9.526752199999999 1.5587132 6.4051242 ] [ 6.541602200000001 2.6696412 6.642310200000001 ] [ 9.0601512 4.6280642 5.503444200000001 ] [ 8.481541199999999 1.1342382 9.7559872 ] [ 8.5773832 2.8571062 8.101469199999999 ] [ 10.5234572 7.600282200000001 0.9154392 ] [ 9.497216199999999 5.5870872 0.1445513 ] [ 8.306685199999999 7.6056862 0.01463730000000001 ] [ 7.5811902 8.8173412 1.9196902 ] [ 6.9919222 10.5001172 0.3801874 ] [ 9.8117512 9.5914512 1.9956702 ] [ 9.8841892 5.6316932 3.5438872 ] [ 8.2840312 7.692647200000001 5.3391672 ] [ 6.4473672 10.1493572 3.5051112 ] [ 9.6063522 9.367583199999999 4.311788200000001 ] [ 5.7990532 6.7370392 7.918083200000001 ] [ 5.9003462 7.289022200000001 5.5450152 ] [ 9.7329292 6.412662200000001 6.9110072 ] [ 5.6495372 9.013031199999999 7.2237802 ] [ 7.957818200000001 9.0495722 7.2052252 ] [ 8.0610062 7.0626052 8.425613199999999 ] [ 9.464767199999999 10.0003172 8.6668892 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8041072e-10 1.4525752000000001e-10 1.7389132000000002e-10 ] [ 3.7755692e-10 1.8618252e-10 4.301788e-11 ] [ 9.716442000000001e-11 3.3492292e-10 5.609447000000001e-11 ] [ 4.8887712e-10 3.0125812e-10 2.1375262e-10 ] [ 2.0887912000000002e-10 2.4729812e-10 3.949492199999999e-10 ] [ 3.8175632000000003e-10 8.93975e-11 4.0475422000000016e-10 ] [ 1.4260132000000002e-10 4.8197452e-10 3.8843002000000006e-10 ] [ 1.9708680000000003e-11 3.1542512e-10 5.271383200000001e-10 ] [ 3.8322832e-10 4.916841200000001e-10 3.1384452e-10 ] [ 5.0722570000000004e-11 6.030915000000001e-11 7.740278200000002e-10 ] [ 3.4619432e-10 2.1655272e-10 5.9610652e-10 ] [ 1.7706442e-10 3.4129932e-10 6.990520200000001e-10 ] [ 4.776700200000002e-10 4.079452200000001e-10 5.3646262e-10 ] [ 5.3060912e-10 4.3723092e-10 7.813006200000001e-10 ] [ 3.2271512e-10 5.2146662e-10 6.8869432e-10 ] [ 3.003482e-11 2.8906862e-10 8.902814200000001e-10 ] [ 4.111803200000001e-10 3.9278842e-10 9.8794332e-10 ] [ 2.8180662e-10 6.399420200000001e-10 1.5210082e-10 ] [ 5.0157792e-10 6.885407200000001e-10 9.178782000000001e-11 ] [ 1.4816102e-10 9.8530152e-10 2.4661042000000005e-10 ] [ 3.5835682000000004e-10 8.7216672e-10 1.7555872e-10 ] [ 4.6544602000000003e-10 1.03208372e-09 1.727738e-11 ] [ 2.3886272e-10 6.5818002e-10 5.1926462e-10 ] [ 1.0191762e-10 1.03174072e-09 4.732830200000001e-10 ] [ 4.6830752e-10 8.565600199999999e-10 3.9085102e-10 ] [ 1.3708222000000002e-10 8.4330822e-10 6.1212602e-10 ] [ 3.2247712000000005e-10 9.7333242e-10 5.359230200000001e-10 ] [ 2.5457862e-10 5.7137672e-10 9.9516072e-10 ] [ 2.455317e-11 5.407142200000001e-10 8.941558199999999e-10 ] [ 4.1192782e-10 7.367382200000001e-10 9.4782892e-10 ] [ 4.270172e-11 8.5484122e-10 9.5131332e-10 ] [ 2.4768632e-10 8.6236392e-10 8.262002199999999e-10 ] [ 1.7300662000000002e-10 1.05697672e-09 9.654505199999998e-10 ] [ 3.9984601999999997e-10 1.0426947200000002e-09 8.5769622e-10 ] [ 6.6273942e-10 1.3565192e-10 2.1015402000000001e-10 ] [ 1.0675867200000001e-09 1.2885102e-10 1.134848e-11 ] [ 7.1824082e-10 5.1748782e-10 2.6562912e-10 ] [ 5.870562200000001e-10 4.605875200000001e-10 7.083980000000001e-11 ] [ 9.1265392e-10 4.104731200000001e-10 1.9863282000000002e-10 ] [ 8.154285199999999e-10 4.328454e-11 4.825086200000001e-10 ] [ 8.538084200000001e-10 2.1092032e-10 3.2154162e-10 ] [ 7.142480200000002e-10 3.6073522e-10 4.4727572000000004e-10 ] [ 9.526752199999999e-10 1.5587131999999999e-10 6.4051242e-10 ] [ 6.541602200000001e-10 2.6696412000000003e-10 6.642310200000001e-10 ] [ 9.0601512e-10 4.6280642e-10 5.5034442e-10 ] [ 8.481541199999999e-10 1.1342382e-10 9.755987200000001e-10 ] [ 8.5773832e-10 2.8571062e-10 8.101469199999999e-10 ] [ 1.05234572e-09 7.600282200000001e-10 9.154392e-11 ] [ 9.497216199999999e-10 5.5870872e-10 1.445513e-11 ] [ 8.306685199999999e-10 7.6056862e-10 1.463730000000001e-12 ] [ 7.5811902e-10 8.8173412e-10 1.9196902000000001e-10 ] [ 6.9919222e-10 1.05001172e-09 3.8018740000000004e-11 ] [ 9.8117512e-10 9.591451200000001e-10 1.9956702e-10 ] [ 9.8841892e-10 5.6316932e-10 3.5438872e-10 ] [ 8.2840312e-10 7.692647200000001e-10 5.3391672e-10 ] [ 6.447367200000001e-10 1.0149357200000002e-09 3.5051112e-10 ] [ 9.606352200000001e-10 9.3675832e-10 4.311788200000002e-10 ] [ 5.799053200000001e-10 6.7370392e-10 7.918083200000001e-10 ] [ 5.900346200000001e-10 7.289022200000001e-10 5.5450152e-10 ] [ 9.7329292e-10 6.412662200000001e-10 6.9110072e-10 ] [ 5.6495372e-10 9.013031199999999e-10 7.2237802e-10 ] [ 7.957818200000002e-10 9.049572200000001e-10 7.205225200000001e-10 ] [ 8.0610062e-10 7.0626052e-10 8.425613199999999e-10 ] [ 9.464767199999999e-10 1.00003172e-09 8.6668892e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.7075706 -1.1340072 2.156344 ] [ -0.8737434 -0.6464886 0.8635909 ] [ -0.6622457 4.657075 0.7459579 ] [ 0.1937249 -1.1218493 -0.2368012 ] [ -1.7386352 -0.8580903 -3.6280476 ] [ 2.5781802 -1.6939142 -1.2789993 ] [ 0.3178314 3.3399986 -1.3653992 ] [ -1.8418433 -1.1148543 2.8926526 ] [ -0.1292178 -0.6730851 0.0890753 ] [ -0.1105682 0.0091483 -1.1510526 ] [ 1.8122095 0.5663586 2.0458197 ] [ -0.8347165 0.024188 0.7492897 ] [ -2.3596825 0.1101237 -3.5738634 ] [ 0.6997065 1.1308648 3.5512565 ] [ -2.2833137 1.2689778 0.5331518 ] [ 0.2196814 2.1160867 -2.5971697 ] [ 0.039588 0.1316874 -0.8625095 ] [ -1.9638458 -1.4946868 0.6637193 ] [ 2.5664402 -1.0942938 -1.0246347 ] [ 0.8463551 1.0116639 -0.388002 ] [ -0.5360374 2.7685924 1.3146631 ] [ -0.1870393 0.4291966 -0.4581209 ] [ 0.1860347 -0.3461984 0.4184798 ] [ -1.5797305 1.5099149 -1.0191532 ] [ -0.4475175 0.8468899 0.5070361 ] [ -0.8168597 -2.8055297 1.7674552 ] [ 4.1690938 -0.0473474 0.212019 ] [ -0.7309078 -1.574572 -0.4007394 ] [ 0.4205075 -0.0637545 0.5024262 ] [ 0.5137938 -0.1397218 -1.6901234 ] [ -1.4858736 -1.3300755 1.0128761 ] [ 0.7290383 -2.7228312 -1.8758732 ] [ -0.7188046 3.0224695 2.4349703 ] [ 2.1781586 -0.1565431 -0.0654491 ] [ 0.1993521 0.0421829 0.3330007 ] [ -2.4219407 -3.5206577 0.170644 ] [ -1.5996938 -0.1988009 -0.3390805 ] [ -0.4090289 0.7002119 0.3892572 ] [ 1.8810059 0.6143507 -1.2578327 ] [ 1.1479324 -1.0166638 0.8546381 ] [ -1.2543085 -0.3223428 -0.2461317 ] [ 1.2427988 0.500811 -0.253338 ] [ -0.129233 0.6161772 -0.4963377 ] [ 2.0895125 -1.6810668 1.732122 ] [ 0.4491099 0.3337735 -0.1756142 ] [ 0.0728223 -0.9643165 0.3233827 ] [ -0.4793521 -0.6345503 -0.5624516 ] [ 2.8056795 1.7233316 0.2891373 ] [ 0.8615389 -2.703632 -0.7690687 ] [ -2.1583756 -0.0423198 -1.3952823 ] [ -0.1062672 0.7135222 -0.3979295 ] [ -1.0349213 0.6463848 0.0550154 ] [ 0.4673353 -0.2228913 0.1830431 ] [ 0.9533166 0.4022548 0.7820022 ] [ 1.0967895 -0.4198223 -0.9484125 ] [ -1.4805555 0.2186788 0.4469248 ] [ -1.0930034 0.6756312 0.037464 ] [ -0.1295656 -2.5157415 2.3922681 ] [ -0.0242576 -0.8231584 -3.1908133 ] [ 0.5246891 -0.7019361 0.4903667 ] [ -1.3734812 3.2468327 0.3446179 ] [ 0.4245025 1.3163031 0.3539075 ] [ -0.8259524 0.2091764 0.675611 ] [ -0.5737807 -0.1171153 -0.6659549 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.338006314485429e-09 -1.81687982365887e-09 3.454843943202355e-09 ] [ -1.3998912480583027e-09 -1.035788920533723e-09 1.383625149915631e-09 ] [ -1.0610345777653308e-09 7.46145668631216e-09 1.1951563074810644e-09 ] [ 3.1038150564681797e-10 -1.7974007205208456e-09 -3.7939734641738495e-10 ] [ -2.7856006695399323e-09 -1.3748122171952583e-09 -5.81277304386955e-09 ] [ 4.130700040649468e-09 -2.7139497288811356e-09 -2.0491827764795654e-09 ] [ 5.092220384361331e-10 5.351267670424731e-09 -2.1876106762990233e-09 ] [ -2.9509582744371207e-09 -1.7861934950583495e-09 4.634540367816334e-09 ] [ -2.0702973815121024e-10 -1.07840121102883e-09 1.4271436315074623e-10 ] [ -1.7714978504393857e-10 1.465719238006464e-11 -1.8441895650310543e-09 ] [ 2.9034796928916576e-09 9.07406507909019e-10 3.2777644937120698e-09 ] [ -1.3373632612960033e-09 3.8753448103910405e-11 1.2004944395462457e-09 ] [ -3.780628134010896e-09 1.7643761753599298e-10 -5.725960385412799e-09 ] [ 1.1210533957217952e-09 1.8118451438456677e-09 5.689740138764036e-09 ] [ -3.658271828092345e-09 2.0331265634742185e-09 8.542033492974374e-10 ] [ 3.5196840310461313e-10 3.3903446383258233e-09 -4.16112457359015e-09 ] [ 6.34269680642304e-11 2.1098647353393794e-10 -1.3818925561178978e-09 ] [ -3.146427827616273e-09 -2.3947522463783656e-09 1.0633955452337416e-09 ] [ 4.1118904871212765e-09 -1.7532519426463912e-09 -1.6416457612004218e-09 ] [ 1.3560103541148462e-09 1.6208642486873492e-09 -6.216477332236417e-10 ] [ -8.588265901544179e-10 4.435774015804563e-09 2.1063224830484527e-09 ] [ -2.9966999363079744e-10 6.876487582468493e-10 -7.339905954798547e-10 ] [ 2.980604469975418e-10 -5.546709826383667e-10 6.704785518370599e-10 ] [ -2.5310072742646942e-09 2.4191503521775703e-09 -1.6328634300535069e-09 ] [ -7.17002075898864e-10 1.3568671981716498e-09 8.123613853216109e-10 ] [ -1.3087535138137017e-09 -4.494954094300038e-09 2.831775399751388e-09 ] [ 6.679624616282231e-09 -7.585889733566592e-11 3.396918849653952e-10 ] [ -1.1710433891203622e-09 -2.5227424461662977e-09 -6.420552977134196e-10 ] [ 6.73727285371056e-10 -1.0214596937079361e-10 8.049755113173851e-10 ] [ 8.23188414271991e-10 -2.2385900137609346e-10 -2.707876197747007e-09 ] [ -2.3806319433839308e-09 -2.1310158699988704e-09 1.6228064071870828e-09 ] [ 1.1680481199277768e-09 -4.362456491024809e-09 -3.0054801846252828e-09 ] [ -1.1516519250434957e-09 4.842529969981066e-09 3.901252487002362e-09 ] [ 3.4897947853144592e-09 -2.508096949675565e-10 -1.0486101787240128e-10 ] [ 3.193972739273837e-10 6.758445617754433e-11 5.335259362500345e-10 ] [ -3.880376766503987e-09 -5.6407154567795005e-09 2.734018272797952e-10 ] [ -2.562992006798711e-09 -3.1851415417399876e-10 -5.432668496691744e-10 ] [ -6.553365408115411e-10 1.1218631357859476e-09 6.236587853180698e-10 ] [ 3.013703676566863e-09 9.842983285121147e-10 -2.01527014481774e-09 ] [ 1.8391904535388338e-09 -1.628874971573687e-09 1.3692811830649324e-09 ] [ -2.009623753970717e-09 -5.164500980432102e-10 -3.943464553777594e-10 ] [ 1.991183181718295e-09 8.023876756394689e-10 -4.058922207602304e-10 ] [ -2.070540912358464e-10 9.872247041100058e-10 -7.952206589616442e-10 ] [ 3.3477680763693604e-09 -2.6933659249630694e-09 2.7751653727733375e-09 ] [ 7.195533819498259e-10 5.347640983425888e-10 -2.813649655204954e-10 ] [ 1.1667418653288386e-10 -1.5450053513516832e-09 5.181162015111802e-10 ] [ -7.680067277513837e-10 -1.0166616553816263e-09 -9.011468038515534e-10 ] [ 4.495194100357834e-09 2.7610815994058575e-09 4.6324902226123583e-10 ] [ 1.3803374834897492e-09 -4.331695981646745e-09 -1.232183890929049e-09 ] [ -3.458098925225172e-09 -6.780379415693183e-11 -2.235488680476052e-09 ] [ -1.7025882339787777e-10 1.1431885872617817e-09 -6.375533416266336e-10 ] [ -1.658126711227943e-09 1.035622614600484e-09 8.814438766396032e-11 ] [ 7.487536917345542e-10 -3.5711122983971904e-10 2.9326737541875647e-10 ] [ 1.5273815687405453e-09 6.444832361645799e-10 1.2529056422541658e-09 ] [ 1.7572504948389218e-09 -6.726294739504838e-10 -1.5195243343744801e-09 ] [ -2.3721114078968543e-09 3.503620608245991e-10 7.160524658157159e-10 ] [ -1.7511844939349107e-09 1.082480512923049e-09 6.00239449216512e-11 ] [ -2.075869751799245e-10 -4.030662215276323e-09 3.832836020505636e-09 ] [ -3.8864959596718086e-11 -1.3188451436951346e-09 -5.112246470597697e-09 ] [ 8.406446092085934e-10 -1.1246256087155307e-09 7.856540623588473e-10 ] [ -2.200559467748329e-09 5.201999443588941e-09 5.521387424891923e-10 ] [ 6.80127980971152e-10 2.1089500527065646e-09 5.67022322425776e-10 ] [ -1.32332162517365e-09 3.3513753770310917e-10 1.0824481489553087e-09 ] [ -9.192980230062587e-10 -1.8763939559797825e-10 -1.066977371287202e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -169.26078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.711856645343722e-17 } }