{ "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" [ [ 3.7880783 0.5619827 2.5062216 ] [ 1.4574324 -1.2196766 0.6004384 ] [ -0.8827924 2.296146 -1.8505745 ] [ -1.3747569 -1.3289241 2.8889972 ] [ -0.0697634 0.360923 -0.7485131 ] [ -0.4330041 -2.3244638 -1.2071729 ] [ -0.1660474 -0.1741629 -2.2524584 ] [ 0.8536829 0.8405591 -1.0392849 ] [ -0.5311096 -1.3061293 -0.063979 ] [ 2.2547406 2.6803746 0.8826179 ] [ -0.5523831 1.4181561 0.5293291 ] [ 0.3482149 1.0379584 -0.1130753 ] [ -0.8688776 -0.1920794 0.4636373 ] [ -1.6449885 0.1353736 0.132312 ] [ 2.2535896 0.2997391 -0.5893541 ] [ -0.8902946 0.122662 1.542459 ] [ 0.7490189 -0.7062565 0.3556353 ] [ 0.7740793 0.7208869 0.7608334 ] [ 3.7160633 -0.2573463 1.3486756 ] [ -0.5553098 -1.4002832 -2.7486088 ] [ 0.9101219 0.3342714 0.3145137 ] [ -0.2417446 0.7792196 -1.6003576 ] [ -1.6664758 1.8315269 1.0357658 ] [ 1.9190777 0.6304484 0.1386349 ] [ 0.0101279 -1.4995884 -1.7203732 ] [ -0.3363333 0.3092333 -0.8648706 ] [ -1.1011678 -1.0262313 0.1047794 ] [ 1.3806696 3.3184752 -1.0025311 ] [ -1.4049544 -1.1699769 -1.2956751 ] [ 0.0451531 -0.3384662 0.8346579 ] [ -0.184648 0.3118968 -0.0908388 ] [ -0.4490396 -0.7994596 0.1896668 ] [ -0.4068939 -0.2071947 -1.4309388 ] [ -2.9014309 -0.2124621 0.3090074 ] [ 1.399773 -1.3630856 0.8523824 ] [ 1.6486417 0.5950717 -1.1555637 ] [ -3.4397745 -1.2548415 0.1907007 ] [ -1.0271106 -0.4462626 -1.2160636 ] [ -2.9050385 -0.3803337 0.3278863 ] [ -0.2567023 2.3677821 -0.0342036 ] [ 0.2804733 -0.1216155 0.0802826 ] [ -1.0610518 2.1631755 -0.7516578 ] [ 1.7477306 1.0716897 0.5569851 ] [ -1.4675367 -0.7825723 0.5646506 ] [ -1.7363984 0.3321178 3.1250342 ] [ 3.2402216 -1.0903403 3.1536044 ] [ -0.8461694 0.2561494 2.0844973 ] [ -2.2713535 0.7201085 1.4476234 ] [ 0.0255245 0.7011406 -0.7657575 ] [ -0.6851161 -1.235669 -3.6641779 ] [ 0.019598 -1.1893048 1.0713674 ] [ -0.5822233 0.4079621 -0.0392775 ] [ 2.3383834 -9.99e-05 -2.5741806 ] [ 0.6596022 0.0440192 1.5425159 ] [ 0.9604776 -1.8664613 3.2361023 ] [ 0.1341312 0.0608806 -1.2336244 ] [ -0.8326252 -0.8227464 -0.4653129 ] [ 0.3025605 -1.0219341 -0.2912475 ] [ -1.0312269 -0.2136727 0.8634542 ] [ -1.8798345 -0.0665646 -2.3488431 ] [ 1.2519585 0.0539583 -1.2173593 ] [ 0.4797524 1.6713964 -0.8718644 ] [ 1.8100525 -2.4206518 1.4366546 ] [ -0.0747537 0.003572 -0.224184 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.069170490019809e-09 9.003955432340601e-10 4.0154096540639696e-09 ] [ 2.335064117676434e-09 -1.9541373334568336e-09 9.620083667105588e-10 ] [ -1.414389344299922e-09 3.6788314391434367e-09 -2.96494719894865e-09 ] [ -2.2026033644634834e-09 -2.1291711238376813e-09 4.628683771396662e-09 ] [ -1.1177328846751872e-10 5.782623925089984e-10 -1.1992501891825325e-09 ] [ -6.937490457305453e-10 -3.7242015562559274e-09 -1.9341041976433362e-09 ] [ -2.6603726222462594e-10 -2.7903972659072836e-10 -3.608836187804575e-09 ] [ 1.3677507839567443e-09 1.3467241384206894e-09 -1.6651179691304659e-09 ] [ -8.509313842024396e-10 -2.0926498282018695e-09 -1.025056580221632e-10 ] [ 3.6124926752885643e-09 4.294433519106152e-09 1.4141097644795922e-09 ] [ -8.850152885450285e-10 2.272136548064907e-09 8.480787087291053e-10 ] [ 5.579017717942099e-10 1.6629926818429748e-09 -1.8116660204994625e-10 ] [ -1.3920953770568141e-09 -3.0774512401729154e-10 7.428288425908358e-10 ] [ -2.635562116184861e-09 2.168924169935309e-10 2.1198719305128963e-10 ] [ 3.610648569998024e-09 4.802349783596333e-10 -9.442493603926254e-10 ] [ -1.4264091937444878e-09 1.965261886605696e-10 2.4712917483425474e-09 ] [ 1.2000605701173332e-09 -1.131547652588035e-09 5.697905631911942e-10 ] [ 1.2402117571052295e-09 1.1549881374209875e-09 1.2189894858037747e-09 ] [ 5.953789740672897e-09 -4.12314225309383e-10 2.1608165153634126e-09 ] [ -8.897043788611238e-10 -2.243501005539011e-09 -4.403756759085143e-09 ] [ 1.4581760302580757e-09 5.355618220820852e-10 5.03906497061305e-10 ] [ -3.873175463246477e-10 1.2484474255891277e-09 -2.564055531639598e-09 ] [ -2.6699885658889767e-09 2.9344295795462997e-09 1.6594797493842088e-09 ] [ 3.0747014244386365e-09 1.0100896871007667e-09 2.2211759560694594e-10 ] [ 1.622668459780032e-11 -2.402605475302879e-09 -2.7563417200908826e-09 ] [ -5.388653500565127e-10 4.954463636328326e-10 -1.3856754553372687e-09 ] [ -1.7642653047377703e-09 -1.6442037963931912e-09 1.678751050214515e-10 ] [ 2.212076554169288e-09 5.316783382144604e-09 -1.6062318900449067e-09 ] [ -2.250985092970092e-09 -1.8745096360560595e-09 -2.075900353372702e-09 ] [ 7.234324117664448e-11 -5.42282632571017e-10 1.3372693737460243e-09 ] [ -2.9583870867747843e-10 4.997137610623334e-10 -1.4553980162152705e-10 ] [ -7.194407489333837e-10 -1.2808754803941199e-09 3.0387971270194943e-10 ] [ -6.519158937261331e-10 -3.319625042936698e-10 -2.292616691155607e-09 ] [ -4.648604754846702e-09 -3.4040180942607167e-10 4.950844319341939e-10 ] [ 2.2426835750270784e-09 -2.1839038804691406e-09 1.3656671532613939e-09 ] [ 2.6414151878159674e-09 9.534099654397113e-10 -1.8514171439851451e-09 ] [ -5.51112628472401e-09 -2.010477714109603e-09 3.055362031101946e-10 ] [ -1.6456125902958606e-09 -7.149915044574222e-10 -1.948348669325883e-09 ] [ -4.6543847672239006e-09 -6.093617622423609e-10 5.253317641406151e-10 ] [ -4.1128242356558786e-10 3.793605123768728e-09 -5.4800208267194884e-11 ] [ 4.4936776401862464e-10 -1.9484951082690241e-10 1.2862690477703808e-10 ] [ -1.6999923874177575e-09 3.4657892127873504e-09 -1.2042885540019624e-09 ] [ 2.8001731067767566e-09 1.717036182092166e-09 8.923885053539501e-10 ] [ -2.3512529909059832e-09 -1.2538190431456839e-09 9.046699902406925e-10 ] [ -2.7820169208745266e-09 5.321113745115303e-10 5.006856734440431e-09 ] [ 5.1914072937311695e-09 -1.7469177373760585e-09 5.0526312409320116e-09 ] [ -1.3557128299163634e-09 4.103965801119476e-10 3.3397328401807243e-09 ] [ -3.639109475272253e-09 1.153741003139357e-09 2.3193483672030065e-09 ] [ 4.08947571576096e-11 1.1233510772136846e-09 -1.226878763702256e-09 ] [ -1.0976769979536749e-09 -1.979759982847315e-09 -5.87066016583204e-09 ] [ 3.1399457414438405e-11 -1.9054763455652196e-09 1.716519800567282e-09 ] [ -9.328245593450247e-10 6.536273387924717e-10 -6.2929492223472e-11 ] [ 3.746503213946815e-09 -1.6005744441792e-13 -4.1242919750369165e-09 ] [ 1.0567992238682458e-09 7.052653310631937e-11 2.4713829121922707e-09 ] [ 1.5388547555220942e-09 -2.9904006584879754e-09 5.184807447577108e-09 ] [ 2.1490187275984899e-10 9.754147398027648e-11 -1.9764841725284276e-09 ] [ -1.334012629328924e-09 -1.318185046927365e-09 -7.455134497366483e-10 ] [ 4.847553594775584e-10 -1.6373189230182892e-09 -4.66629935366448e-10 ] [ -1.6522076299200596e-09 -3.4234140444321215e-10 1.3834061323715674e-09 ] [ -3.0118268868732576e-09 -1.0664824589290368e-10 -3.763261500747397e-09 ] [ 2.005858638911837e-09 8.645072675811265e-11 -1.9504246095734536e-09 ] [ 7.6864807905269e-10 2.6778722361692853e-09 -1.3968807581878194e-09 ] [ 2.900023797920592e-09 -3.878311721057438e-09 2.301774412284776e-09 ] [ -1.1976863045829698e-10 5.7229748894976e-12 -3.591823635574272e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -238.46783 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.820675820389089e-17 } }