{ "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" [ [ 0.9979877 -0.4614671 1.4667255 ] [ -0.6294466 -0.5992737 0.3161005 ] [ 0.3442264 2.9713383 0.1983573 ] [ 0.5557566 -0.6599716 -0.2522892 ] [ -1.2375088 -0.2228244 -2.2302825 ] [ 1.4044804 -1.452851 -0.6960566 ] [ 0.584668 1.5692605 -0.5769623 ] [ -0.8664582 -0.4257992 0.8708804 ] [ -0.72946 -0.9780385 1.0491201 ] [ 0.1055488 0.751232 -0.301679 ] [ 0.5182111 0.3842587 1.307015 ] [ -0.8752981 -0.3620837 1.4352168 ] [ 0.4703595 0.1627694 -1.6330778 ] [ -0.2778634 0.8141701 1.6514887 ] [ -0.7132925 0.7295715 -0.0681393 ] [ 0.1121756 1.2825117 -1.6588241 ] [ 0.449447 -0.4276482 -0.5852558 ] [ -1.4298855 -0.7110636 0.6644695 ] [ 2.0420783 0.0242853 -0.7930642 ] [ 0.7597913 1.0647566 -0.9720638 ] [ -0.4082263 1.2348628 0.650363 ] [ -0.1706031 0.4664429 -0.1460225 ] [ -0.3348708 -0.5840115 0.2968758 ] [ -0.9884394 0.4573007 -0.2941369 ] [ 0.2266176 0.7282493 0.5766553 ] [ 0.4747463 -1.2732607 1.4058584 ] [ 2.0310737 -0.1212575 -0.3062855 ] [ -1.5648976 -1.0792934 -0.2806483 ] [ 0.5618903 -0.5331498 -0.0084079 ] [ 0.3139645 -0.0737008 -1.7505278 ] [ -0.8599876 -0.7688178 1.1341278 ] [ -0.4458933 -1.2817427 -0.3975444 ] [ 0.0345372 1.0888372 0.6220307 ] [ 1.7029321 -0.210865 -0.5327572 ] [ -0.705339 0.5992853 0.522015 ] [ -1.1049096 -2.2261553 -0.7228216 ] [ -2.7845531 -0.0351507 -0.7024802 ] [ 0.056196 1.4692377 0.32792 ] [ 1.0216034 -0.5205628 -1.5595425 ] [ 0.807172 -0.2597522 0.9420694 ] [ -0.2302143 0.4299307 -0.8030209 ] [ 0.0296848 0.8548408 0.5293786 ] [ 0.1013427 0.083902 -1.2562389 ] [ 1.1747556 -0.1801567 0.9589861 ] [ 0.1203825 0.3240156 -0.0950284 ] [ 0.0747906 -0.8209022 0.9667054 ] [ -1.1240609 -0.3664601 0.1786707 ] [ 1.642972 0.825782 -0.3379411 ] [ 0.6292884 -2.1819427 0.109063 ] [ -1.6175567 -0.246672 -0.5507137 ] [ -0.1198091 0.0227748 -0.7188151 ] [ -0.8056537 1.0302187 -0.5409297 ] [ 0.8907297 -0.9142351 0.2023917 ] [ 2.5075276 0.9257663 0.7196314 ] [ 1.2958367 -0.3984813 -0.4402668 ] [ -0.8169385 -0.6656164 0.4408152 ] [ -0.8610411 0.2340475 0.2098527 ] [ -0.281377 -1.9505777 1.0753031 ] [ -0.0003715 -0.2556846 -2.0659005 ] [ 0.2526518 -1.1836554 0.7049133 ] [ -1.7689027 2.8163389 0.8449402 ] [ 0.4095018 1.1726501 0.5970905 ] [ -0.611575 0.231064 1.0891923 ] [ -0.3404947 -0.3165761 -0.7864986 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.5989525739594018e-09 -7.393518049797414e-10 2.3499533245919667e-09 ] [ -1.0084846348707444e-09 -9.60142319510726e-10 5.06448835095717e-10 ] [ 5.515114948859376e-10 4.760608795969283e-09 3.1780343124332815e-10 ] [ 8.904202387112845e-10 -1.0573910766235944e-09 -4.042118612505528e-10 ] [ -1.9827076837293794e-09 -3.570040471650696e-10 -3.573306508719105e-09 ] [ 2.2502256797909737e-09 -2.3277239248835337e-09 -1.1152056204614845e-09 ] [ 9.367414082475119e-10 2.514232505759157e-09 -9.243955157588983e-10 ] [ -1.3882190823776986e-09 -6.822055290158928e-10 1.3953042278885737e-09 ] [ -1.16872376743764e-09 -1.566990431852409e-09 1.6808757104797437e-09 ] [ 1.691078211067392e-10 1.203606357113088e-09 -4.833430447684859e-10 ] [ 8.302657158994374e-10 6.156503105512158e-10 2.09406889328751e-09 ] [ -1.4023821636045954e-09 -5.801220436922658e-10 2.2994708216842515e-09 ] [ 7.53599000479923e-10 2.607853294101996e-10 -2.616479092664125e-09 ] [ -4.4518624692379557e-10 1.3044443103214435e-09 2.645976606455036e-09 ] [ -1.142820576707445e-09 1.168902410132331e-09 -1.091711943171162e-10 ] [ 1.797251252249304e-10 2.0548102785716178e-09 -2.6577292129360793e-09 ] [ 7.20093481621398e-10 -6.851679536121588e-10 -9.376831676729772e-10 ] [ -2.2909291373954067e-09 -1.1392494852079224e-09 1.064597506905663e-09 ] [ 3.2717701370584423e-09 3.8909340209680196e-11 -1.2706289305019028e-09 ] [ 1.2173198675764842e-09 1.7059281454172843e-09 -1.5574179071172493e-09 ] [ -6.540506392442741e-10 1.9784683243558153e-09 1.0419964022181421e-09 ] [ -2.7333630050796543e-10 7.473239154751985e-10 -2.33953837538265e-10 ] [ -5.365221711688872e-10 -9.35689579287291e-10 4.756474699600572e-10 ] [ -1.5836545108049795e-09 7.326764962518438e-10 -4.712592683771946e-10 ] [ 3.630814235731584e-10 1.1667840121868561e-09 9.239036475322602e-10 ] [ 7.606274289379542e-10 -2.039988542530484e-09 2.252433479192626e-09 ] [ 3.2541388240719254e-09 -1.9427593319725502e-10 -4.90723471433007e-10 ] [ -2.5072423693226786e-09 -1.7292186667104156e-09 -4.4964814863182225e-10 ] [ 9.002475095312501e-10 -8.542001519817732e-10 -1.3470940921008599e-11 ] [ 5.030265858054929e-10 -1.180816996671072e-10 -2.8046547383274253e-09 ] [ -1.3778520382497383e-09 -1.2317819149632852e-09 1.8170730611298251e-09 ] [ -7.143998265171522e-10 -2.0535782047400718e-09 -6.369363486575496e-10 ] [ 5.5334694843784796e-11 1.7445095200699848e-09 9.96603053170664e-10 ] [ 2.728398019908551e-09 -3.3784297592841e-10 -8.535711374352649e-10 ] [ -1.1300776648489261e-09 9.601609047596802e-10 8.3636023559751e-10 ] [ -1.7702603438022866e-09 -3.56669400531526e-09 -1.1580878780704943e-09 ] [ -4.461345912952266e-09 -5.63176302087438e-11 -1.1254973622876469e-09 ] [ 9.0035918124264e-11 2.353978312731902e-09 5.2538576182128e-10 ] [ 1.6367890966949556e-09 -8.340335546896152e-10 -2.498662553229945e-09 ] [ 1.293232118019048e-09 -4.1616890547009476e-10 1.5093615802863996e-09 ] [ -3.688439722726662e-10 6.888249217792638e-10 -1.2865813225936507e-09 ] [ 4.75602929449632e-11 1.3696059555498671e-09 8.481580234596324e-10 ] [ 1.623689059664718e-10 1.34425823945868e-10 -2.0127166123018625e-09 ] [ 1.88216597298065e-09 -2.886428551985478e-10 1.5364651217507873e-09 ] [ 1.92874028642505e-10 5.191302233714905e-10 -1.522522820464056e-10 ] [ 1.198277517628404e-10 -1.3152303236391947e-09 1.5488328038416236e-09 ] [ -1.8009441091730106e-09 -5.871338095133034e-10 2.8626202072042376e-10 ] [ 2.632331348716248e-09 1.323048625177788e-09 -5.414413340882574e-10 ] [ 1.0082311705272455e-09 -3.4958576106668716e-09 1.74738190233942e-10 ] [ -2.5916115489101478e-09 -3.95212114662048e-10 -8.823406221636857e-10 ] [ -1.919553405605694e-10 3.64892524040232e-11 -1.1516687573863734e-09 ] [ -1.290799533235646e-09 1.650592329049856e-09 -8.666649259766297e-10 ] [ 1.4271063125498297e-09 -1.4647661152026533e-09 3.242672526555378e-10 ] [ 4.017502129830098e-09 1.4832411344046342e-09 1.1529766141727077e-09 ] [ 2.0761592822196677e-09 -6.384374279459442e-10 -7.053851796859512e-10 ] [ -1.308879776115009e-09 -1.0664350432871977e-09 7.062638133520368e-10 ] [ -1.3795399313336574e-09 3.74985435746115e-10 3.362210925218118e-10 ] [ -4.50815654745018e-10 -3.1251700137414617e-09 1.7228255012877653e-09 ] [ -5.952086195309999e-13 -4.096518917936364e-10 -3.3099375092689172e-09 ] [ 4.0479281049804117e-10 -1.8964250245879233e-09 1.1293956182558322e-09 ] [ -2.834094573759512e-09 4.512272379005262e-09 1.353743445567287e-09 ] [ 6.560942155409413e-10 1.8787925900777633e-09 9.56644447483377e-10 ] [ -9.7985117493855e-10 3.70205341758576e-10 1.745078452992718e-09 ] [ -5.455326523408398e-10 -5.072108303028475e-10 -1.2601096795937124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -232.36752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.722938110445277e-17 } }