{ "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" [ 10.6701701 0 0 ] "si-unit" "m" "si-value" [ 1.06701701e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6701701 0 ] "si-unit" "m" "si-value" [ 0.0 1.06701701e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6701701 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06701701e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.5592951 1.9794121 2.2696171 ] [ 4.786856100000001 2.2212181 0.01705 ] [ 0.1437485 3.4407191 1.1797641 ] [ 5.3925311 3.8378731 1.6815471 ] [ 2.2998621 1.9395301 5.324194100000001 ] [ 0.732897 0.3566806 4.7274141 ] [ 3.7197951 3.1867261 3.989981100000001 ] [ 4.2013841 0.1586136 7.4664321 ] [ 2.9084461 2.0645931 7.5867061 ] [ 0.6038844 3.5337741 5.5353541 ] [ 4.8702701 3.2787761 7.3412221 ] [ 3.8538651 4.6818861 5.7708931 ] [ 2.6460151 1.6115221 9.892104100000001 ] [ 2.0877551 3.9072891 10.3712801 ] [ 4.3947391 4.2249951 9.4168251 ] [ 0.8560414 7.288648100000001 2.2050211 ] [ 2.3117611 5.7574271 1.1775341 ] [ 4.594337100000001 6.0917371 1.3322041 ] [ 2.0619201 10.4149201 1.7177691 ] [ 4.5687061 7.433829100000001 3.2620921 ] [ 2.4502981 8.608763100000001 3.2225631 ] [ 4.8159631 10.7601101 3.2415071 ] [ 4.3761031 9.7722751 5.4178001 ] [ 0.7410177 7.1236831 5.4994591 ] [ 2.3232711 6.0661001 6.9438151 ] [ 1.9766151 9.1822371 5.541502100000001 ] [ 2.5505321 9.2943721 7.9840941 ] [ 1.9249821 7.0248011 9.9254501 ] [ 0.9806991 5.2597391 8.7116671 ] [ 4.0200641 7.4664971 7.8649491 ] [ 5.2317821 7.2608791 9.9773801 ] [ 3.0065501 9.9652601 10.2609701 ] [ 6.0954661 0.4184692 1.2389151 ] [ 9.8470151 1.5180311 2.2011311 ] [ 7.5221141 3.6788041 0.6291426999999999 ] [ 5.6199621 1.9093231 4.4538971 ] [ 9.6933551 1.7619481 5.4575951 ] [ 7.7867751 5.1230431 5.2396631 ] [ 8.6468401 3.1102601 3.8033081 ] [ 10.5189101 4.412778100000001 3.3683691 ] [ 6.6717541 1.9193681 6.5848851 ] [ 8.1455591 3.2721591 7.7920431 ] [ 10.3564401 2.5753501 7.5693381 ] [ 6.4255111 0.2784291 8.388679100000001 ] [ 7.7754071 1.8896471 9.6269621 ] [ 9.6213571 0.6473222 8.7374831 ] [ 7.6349061 7.0054151 1.6158971 ] [ 7.856842100000001 9.3634861 1.4108211 ] [ 10.7662301 8.1559701 0.1797261 ] [ 10.7064301 10.4591601 0.6209655 ] [ 5.5690371 5.9814211 4.8795761 ] [ 9.5052611 6.542518100000001 3.0084401 ] [ 6.159315100000001 8.9873381 4.0532111 ] [ 9.734138100000001 9.8536241 2.6557041 ] [ 5.7349191 7.9339821 6.2109331 ] [ 7.5031051 5.5021871 7.5420981 ] [ 8.9833401 7.2244821 5.2039371 ] [ 8.3490471 9.8787611 7.3967521 ] [ 10.0527201 8.2112591 7.1365131 ] [ 6.5796961 5.2517281 9.7027281 ] [ 9.4849571 6.3649191 8.5139271 ] [ 8.4927911 7.9724951 10.1767901 ] [ 8.7911961 5.6284261 10.7231901 ] [ 5.3296281 9.6713601 10.2021401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5592950999999999e-10 1.9794121e-10 2.2696171e-10 ] [ 4.786856100000001e-10 2.2212181000000003e-10 1.705e-12 ] [ 1.4374850000000001e-11 3.4407191e-10 1.1797641000000002e-10 ] [ 5.392531100000001e-10 3.8378731e-10 1.6815471e-10 ] [ 2.2998621e-10 1.9395301e-10 5.324194100000001e-10 ] [ 7.328970000000001e-11 3.566806e-11 4.7274141e-10 ] [ 3.7197951e-10 3.1867261e-10 3.9899811000000013e-10 ] [ 4.2013841000000006e-10 1.586136e-11 7.466432099999999e-10 ] [ 2.9084461e-10 2.0645931000000003e-10 7.586706100000001e-10 ] [ 6.038844e-11 3.5337741e-10 5.535354100000001e-10 ] [ 4.8702701e-10 3.2787761e-10 7.341222100000001e-10 ] [ 3.8538651e-10 4.6818861e-10 5.7708931e-10 ] [ 2.6460151e-10 1.6115221e-10 9.892104100000001e-10 ] [ 2.0877550999999998e-10 3.9072891e-10 1.03712801e-09 ] [ 4.3947391e-10 4.2249951000000003e-10 9.4168251e-10 ] [ 8.560413999999999e-11 7.288648100000001e-10 2.2050211000000003e-10 ] [ 2.3117611000000001e-10 5.7574271e-10 1.1775341e-10 ] [ 4.5943371000000007e-10 6.0917371e-10 1.3322041e-10 ] [ 2.0619201e-10 1.04149201e-09 1.7177691e-10 ] [ 4.5687061e-10 7.433829100000002e-10 3.2620921e-10 ] [ 2.4502981e-10 8.608763100000001e-10 3.2225631e-10 ] [ 4.815963100000001e-10 1.07601101e-09 3.2415071e-10 ] [ 4.3761031e-10 9.7722751e-10 5.4178001e-10 ] [ 7.410177000000001e-11 7.1236831e-10 5.4994591e-10 ] [ 2.3232711e-10 6.0661001e-10 6.9438151e-10 ] [ 1.9766151000000002e-10 9.1822371e-10 5.541502100000001e-10 ] [ 2.5505321e-10 9.2943721e-10 7.9840941e-10 ] [ 1.9249821000000002e-10 7.0248011e-10 9.925450100000002e-10 ] [ 9.806991e-11 5.2597391e-10 8.7116671e-10 ] [ 4.0200641e-10 7.466497100000001e-10 7.8649491e-10 ] [ 5.2317821e-10 7.2608791e-10 9.9773801e-10 ] [ 3.0065501000000003e-10 9.9652601e-10 1.02609701e-09 ] [ 6.0954661e-10 4.184692e-11 1.2389151e-10 ] [ 9.8470151e-10 1.5180311e-10 2.2011311e-10 ] [ 7.5221141e-10 3.6788041e-10 6.291427e-11 ] [ 5.619962100000001e-10 1.9093231e-10 4.4538971e-10 ] [ 9.6933551e-10 1.7619480999999999e-10 5.4575951e-10 ] [ 7.7867751e-10 5.1230431e-10 5.2396631e-10 ] [ 8.6468401e-10 3.1102601e-10 3.8033081e-10 ] [ 1.05189101e-09 4.4127781000000007e-10 3.3683691e-10 ] [ 6.671754100000001e-10 1.9193681000000002e-10 6.5848851e-10 ] [ 8.1455591e-10 3.2721591e-10 7.7920431e-10 ] [ 1.03564401e-09 2.5753501e-10 7.569338100000001e-10 ] [ 6.4255111e-10 2.784291e-11 8.388679100000001e-10 ] [ 7.7754071e-10 1.8896471e-10 9.6269621e-10 ] [ 9.6213571e-10 6.473222e-11 8.7374831e-10 ] [ 7.6349061e-10 7.005415099999999e-10 1.6158971e-10 ] [ 7.856842100000001e-10 9.3634861e-10 1.4108211e-10 ] [ 1.07662301e-09 8.1559701e-10 1.797261e-11 ] [ 1.0706430100000001e-09 1.04591601e-09 6.209655e-11 ] [ 5.5690371e-10 5.981421100000001e-10 4.8795761e-10 ] [ 9.5052611e-10 6.542518100000001e-10 3.0084401e-10 ] [ 6.159315100000001e-10 8.987338100000001e-10 4.0532111000000004e-10 ] [ 9.7341381e-10 9.8536241e-10 2.6557041e-10 ] [ 5.7349191e-10 7.9339821e-10 6.2109331e-10 ] [ 7.503105100000001e-10 5.5021871e-10 7.5420981e-10 ] [ 8.9833401e-10 7.2244821e-10 5.2039371e-10 ] [ 8.349047100000001e-10 9.878761100000002e-10 7.3967521e-10 ] [ 1.00527201e-09 8.2112591e-10 7.136513100000001e-10 ] [ 6.5796961e-10 5.251728100000001e-10 9.702728100000001e-10 ] [ 9.4849571e-10 6.3649191e-10 8.513927100000001e-10 ] [ 8.492791100000001e-10 7.9724951e-10 1.01767901e-09 ] [ 8.791196100000001e-10 5.6284261e-10 1.07231901e-09 ] [ 5.3296281e-10 9.6713601e-10 1.02021401e-09 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.2204902 -0.5844407 0.6528131 ] [ 0.8674573 0.1835369 1.0840109 ] [ 0.1367661 1.8428489 -0.437554 ] [ -0.4132909 -0.1720542 1.0171517 ] [ -0.6070929 1.4484795 -0.1697103 ] [ -0.3496191 -0.6314701 -0.6220333 ] [ 0.3328472 -0.0630338 -0.5633462 ] [ 0.3428567 0.6479806 -0.4857216 ] [ 0.515312 -1.4936678 -0.4466018 ] [ 1.4376162 0.4699495 -0.091327 ] [ -0.9319629 0.9374231 -0.5734202 ] [ 0.9752226 0.343749 0.0237984 ] [ -0.18342 0.3514238 0.4054522 ] [ -1.9343554 0.6882737 0.5345292 ] [ 0.4596845 -0.4074963 -0.0259694 ] [ 0.3987349 -0.1653324 0.755261 ] [ 0.5770708 -0.0133938 -0.276378 ] [ -0.6141368 0.4913781 0.8164797 ] [ 1.2771968 -0.274563 -0.3365881 ] [ 0.6733973 -1.2414933 -0.9173391 ] [ -0.2609131 -0.043642 1.0046248 ] [ 1.1517392 0.6040508 -0.7106896 ] [ -1.1943362 0.4981408 0.9603787 ] [ 1.7956369 0.5910926 -0.0165403 ] [ -0.3812038 -0.8407541 -0.7078137 ] [ -1.2243069 -0.2382244 -1.4605236 ] [ -0.0756499 -0.4551201 0.2549595 ] [ 0.1399719 0.4158223 -0.3148185 ] [ -0.5214115 -0.4042133 -0.6440576 ] [ -0.2387208 -0.2827497 0.2917213 ] [ 0.3721205 -0.1030365 0.2766104 ] [ -0.0852374 0.7751722 -0.2798828 ] [ -0.002685 -1.0768786 0.1700167 ] [ -1.8496014 0.152213 0.0856186 ] [ 0.721442 -1.4549599 0.171819 ] [ 0.1643332 -0.2925232 -1.8609399 ] [ -1.0291074 -0.6734016 0.0699797 ] [ -0.7570904 0.9883383 -0.3252946 ] [ -0.835022 -0.5034371 0.1709407 ] [ -0.237675 1.1128934 -0.384236 ] [ -0.70616 0.443143 0.4710132 ] [ -0.0989726 0.6711955 -0.9267721 ] [ -0.0525404 0.695657 0.8227064 ] [ -0.4692181 -0.6450204 -0.2812144 ] [ -0.2006028 -0.2612209 1.1295805 ] [ 1.2360005 -0.0285117 1.641371 ] [ -0.1990693 -0.1449984 1.3313007 ] [ -1.5054172 0.715673 1.4779296 ] [ 0.5007466 1.0057525 0.1237273 ] [ -0.1308764 -0.4648834 -1.8180734 ] [ -0.8622707 -0.4629457 0.0863404 ] [ 0.7900444 -0.9888373 1.1406784 ] [ 1.0370855 -0.5590406 -2.1425368 ] [ -1.066851 0.0415932 0.7053457 ] [ 0.4566897 -0.5616108 0.9981797 ] [ 1.5857194 -1.1585816 0.7618868 ] [ -0.8453169 0.1213491 -0.8953764 ] [ 0.1383245 -0.9505235 0.0062154 ] [ -1.406148 -0.6851621 -0.0201108 ] [ -0.2226195 0.7429176 -0.7258553 ] [ 0.4051637 0.587364 -0.5477966 ] [ 0.864806 0.8897608 -1.2610434 ] [ -0.9286061 -0.4029686 0.5964388 ] [ 0.8470314 0.2730185 0.230685 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.5576174851555164e-09 -9.363772257839867e-10 1.0459218865719727e-09 ] [ 1.3898198056022918e-09 2.9405853023410755e-10 1.7367769206723667e-09 ] [ 2.191234479379949e-10 2.952569423246997e-09 -7.010387891375233e-10 ] [ -6.621650175693908e-10 -2.7566121675044734e-10 1.6296566735469757e-09 ] [ -9.726700510336725e-10 2.3207199906080737e-09 -2.719058749689543e-10 ] [ -5.601515482051373e-10 -1.011726630954238e-09 -9.966072106190726e-10 ] [ 5.332800021387418e-10 -1.0099128068018305e-10 -9.025801110565211e-10 ] [ 5.493169890246394e-10 1.0381793680519565e-09 -7.782117917375692e-10 ] [ 8.256208388176897e-10 -2.3931196284017703e-09 -7.155349627671975e-10 ] [ 2.3033150653233367e-09 7.529421018566496e-10 -1.4632198424780162e-10 ] [ -1.4931691698329684e-09 1.5019173746178605e-09 -9.187204383344603e-10 ] [ 1.5624788497957902e-09 5.507466112233792e-10 3.812924009244672e-11 ] [ -2.9387123578713603e-10 5.63042996352695e-10 6.496060356919257e-10 ] [ -3.0991789981982324e-09 1.102736030851513e-09 8.564101873749275e-10 ] [ 7.364957588441376e-10 -6.52881044922503e-10 -4.1607565536203523e-11 ] [ 6.388437346770259e-10 -2.648917059407539e-10 1.2100615168020288e-09 ] [ 9.245693443063526e-10 -2.1459233223671043e-11 -4.428063701034624e-10 ] [ -9.839556229329255e-10 7.872745037931245e-10 1.3081446866977978e-09 ] [ 2.0462948531205735e-09 -4.398984195367104e-10 -5.392735846594925e-10 ] [ 1.0789014105698438e-09 -1.9890915401398407e-09 -1.4697392593657133e-09 ] [ -4.180288688804525e-10 -6.992219208495361e-11 1.6095863672358759e-09 ] [ 1.8452896194988953e-09 9.677960695355366e-10 -1.1386502617657038e-09 ] [ -1.913537537015113e-09 7.981095436266086e-10 1.538696300254297e-09 ] [ 2.876927460625788e-09 9.47034744447886e-10 -2.6500481961018244e-11 ] [ -6.10755816120119e-10 -1.3470365628617452e-09 -1.134042562021945e-09 ] [ -1.9615558918641236e-09 -3.8167756418410754e-10 -2.340016766046651e-09 ] [ -1.2120450114585793e-10 -7.291827838761582e-10 4.0849015015085763e-10 ] [ 2.2425970574895555e-10 6.662207674672838e-10 -5.043948404953249e-10 ] [ -8.353933151162592e-10 -6.476210990764167e-10 -1.0318940291685582e-09 ] [ -3.8247288465867266e-10 -4.530149588782138e-10 4.673890466493831e-10 ] [ 5.962027652204065e-10 -1.6508267138905922e-10 4.431787159501363e-10 ] [ -1.3656536949777794e-10 1.2419627759341017e-09 -4.4842167872404224e-10 ] [ -4.301844226848e-12 -1.7253497163598348e-09 2.7239678188556734e-10 ] [ -2.9633881208789492e-09 2.438721099818304e-10 1.371761192256269e-10 ] [ 1.1558775056631936e-09 -2.331102735981506e-09 2.752843848092352e-10 ] [ 2.6329081106125057e-10 -4.686738320816026e-10 -2.98155440049389e-09 ] [ -1.648811816572274e-09 -1.0789082999293133e-09 1.1211983927059778e-10 ] [ -1.2129925387121204e-09 1.5834925177012166e-09 -5.211794029924877e-10 ] [ -1.3378527262536577e-09 -8.065951516633516e-10 2.7387719308318657e-10 ] [ -3.8079732834864e-10 1.7830517869226227e-09 -6.156139360697089e-10 ] [ -1.131393042544128e-09 7.099933542711745e-10 7.546463371281947e-10 ] [ -1.5857158581979007e-10 1.0753737380861664e-09 -1.4848525914297197e-09 ] [ -8.417900052748032e-11 1.1145653814958657e-09 1.318120959862533e-09 ] [ -7.517702698761965e-10 -1.0334366048190643e-09 -4.505551371122995e-10 ] [ -3.2140111622701827e-10 -4.185220188443347e-10 1.8097874684115747e-09 ] [ 1.9802911043971105e-09 -4.5680779159263366e-11 2.6297662422591166e-09 ] [ -3.1894417837902145e-10 -2.3231304653340673e-10 2.1329788567946744e-09 ] [ -2.4119442423901976e-09 1.1466345487377985e-09 2.3679042523082957e-09 ] [ 8.022844954650893e-10 1.6113931418111522e-09 1.9823298741470785e-10 ] [ -2.0968710829446912e-10 -7.448253148780148e-10 -2.912874696378367e-09 ] [ -1.3815099563408505e-09 -7.417207772398906e-10 1.3833257031052032e-10 ] [ 1.2657906670739635e-09 -1.584292003834996e-09 1.827568264331551e-09 ] [ 1.6615941418706786e-09 -8.956817793980045e-10 -3.4327223701636454e-09 ] [ -1.7092837300771009e-09 6.663965262425856e-11 1.1300883901218104e-09 ] [ 7.316975603001657e-10 -8.997996937487846e-10 1.5992601786971578e-09 ] [ 2.5406025498290032e-09 -1.8562523528090574e-09 1.2206772186561254e-09 ] [ -1.3543469743471316e-09 1.944226909751213e-10 -1.434551134896069e-09 ] [ 2.216202799838496e-10 -1.5229065292209887e-09 9.95816856892032e-12 ] [ -2.2528974509846782e-09 -1.0977506980782316e-09 -3.2221053585584646e-11 ] [ -3.5667575823418563e-10 1.190285209900846e-09 -1.1629483917437702e-09 ] [ 6.49143807736825e-10 9.410608686995712e-10 -8.776669054737292e-10 ] [ 1.3855719547275649e-09 1.4255539518643048e-09 -2.0204142532941427e-09 ] [ -1.487790983352267e-09 -6.456268698365069e-10 9.556003010980072e-10 ] [ 1.357093906163493e-09 4.374238577458848e-10 3.69598113769248e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -248.8216 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.986561502700493e-17 } }