{ "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" [ 10.5856 0 0 ] "si-unit" "m" "si-value" [ 1.05856e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.4462 9.06493 0 ] "si-unit" "m" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.279622 0.188792 10.3176 ] "si-unit" "m" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0680542 0.163652 0.255954 ] [ 0.0999824 0.0476252 2.72693 ] [ -0.118852 0.128026 4.88578 ] [ -0.181823 0.243541 7.84184 ] [ -1.38184 2.22897 -0.108646 ] [ -1.30117 2.39414 2.29388 ] [ -1.7062 2.39552 4.81294 ] [ -1.61019 2.58763 7.79003 ] [ -2.70858 4.54239 -0.151845 ] [ -2.69884 4.68625 2.76596 ] [ -2.86548 4.77395 4.97841 ] [ -2.99159 4.6637 7.94938 ] [ -4.1901 6.67321 -0.399259 ] [ -4.08937 6.83628 2.32301 ] [ -4.1903 6.93981 5.23022 ] [ -4.25869 7.02167 7.61028 ] [ 2.64946 0.100672 0.0899987 ] [ 2.34792 -0.0568394 2.50299 ] [ 2.16376 0.25261 4.92835 ] [ 2.29899 0.174675 7.95102 ] [ 1.22435 2.52218 -0.106384 ] [ 0.9573 2.48507 2.89269 ] [ 1.19859 2.5471 5.01782 ] [ 1.10265 2.51164 7.82102 ] [ 0.265809 4.85078 0.00877376 ] [ -0.208711 4.43865 2.53497 ] [ 0.176284 4.84074 4.94991 ] [ -0.25392 4.74744 7.76477 ] [ -1.65563 6.92317 0.0957015 ] [ -1.45747 6.84972 2.45262 ] [ -1.68993 7.06359 5.38303 ] [ -1.59978 7.00696 7.18415 ] [ 5.06785 0.0923991 0.178855 ] [ 4.8986 0.11394 2.76417 ] [ 5.44756 0.154347 5.52516 ] [ 4.81211 0.307407 7.61283 ] [ 4.09234 2.51394 -0.0280987 ] [ 3.66159 2.50997 2.49044 ] [ 3.7568 2.35138 5.32247 ] [ 3.52485 2.84703 7.8516 ] [ 2.41741 4.60396 0.213121 ] [ 2.23357 4.70351 2.98342 ] [ 2.68435 4.58157 5.09325 ] [ 2.36938 4.84011 7.83278 ] [ 1.23197 6.85774 -0.354973 ] [ 1.03514 6.99328 2.29884 ] [ 1.1221 7.01945 5.15496 ] [ 1.04457 7.05661 7.65948 ] [ 8.03473 0.246063 0.425808 ] [ 7.83973 0.155836 2.64412 ] [ 7.94824 -0.0291046 5.41958 ] [ 7.79487 0.327794 8.00636 ] [ 6.54326 2.36157 0.443569 ] [ 6.58001 2.40647 2.97967 ] [ 6.74105 2.32551 5.05787 ] [ 6.35624 2.36779 8.10593 ] [ 5.58447 4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 2.64946e-10 1.00672e-11 8.99987e-12 ] [ 2.34792e-10 -5.68394e-12 2.50299e-10 ] [ 2.16376e-10 2.5261e-11 4.92835e-10 ] [ 2.29899e-10 1.74675e-11 7.95102e-10 ] [ 1.22435e-10 2.52218e-10 -1.06384e-11 ] [ 9.573e-11 2.48507e-10 2.89269e-10 ] [ 1.19859e-10 2.5471e-10 5.01782e-10 ] [ 1.1026499999999999e-10 2.5116399999999997e-10 7.82102e-10 ] [ 2.6580900000000003e-11 4.85078e-10 8.773760000000001e-13 ] [ -2.0871100000000003e-11 4.43865e-10 2.5349700000000003e-10 ] [ 1.76284e-11 4.84074e-10 4.94991e-10 ] [ -2.5392e-11 4.74744e-10 7.764770000000001e-10 ] [ -1.65563e-10 6.92317e-10 9.57015e-12 ] [ -1.4574700000000001e-10 6.84972e-10 2.45262e-10 ] [ -1.68993e-10 7.06359e-10 5.38303e-10 ] [ -1.59978e-10 7.00696e-10 7.18415e-10 ] [ 5.06785e-10 9.23991e-12 1.78855e-11 ] [ 4.8986e-10 1.1394000000000001e-11 2.76417e-10 ] [ 5.447560000000001e-10 1.54347e-11 5.525159999999999e-10 ] [ 4.812109999999999e-10 3.07407e-11 7.61283e-10 ] [ 4.0923400000000003e-10 2.51394e-10 -2.80987e-12 ] [ 3.66159e-10 2.5099700000000004e-10 2.49044e-10 ] [ 3.7568000000000004e-10 2.35138e-10 5.32247e-10 ] [ 3.52485e-10 2.8470300000000004e-10 7.851600000000001e-10 ] [ 2.41741e-10 4.60396e-10 2.1312100000000002e-11 ] [ 2.23357e-10 4.703509999999999e-10 2.9834200000000004e-10 ] [ 2.68435e-10 4.58157e-10 5.09325e-10 ] [ 2.36938e-10 4.840110000000001e-10 7.83278e-10 ] [ 1.23197e-10 6.85774e-10 -3.54973e-11 ] [ 1.03514e-10 6.993280000000001e-10 2.2988400000000002e-10 ] [ 1.1221000000000002e-10 7.01945e-10 5.15496e-10 ] [ 1.0445700000000001e-10 7.05661e-10 7.65948e-10 ] [ 8.03473e-10 2.4606300000000003e-11 4.2580800000000006e-11 ] [ 7.839730000000001e-10 1.55836e-11 2.6441200000000004e-10 ] [ 7.948240000000001e-10 -2.91046e-12 5.41958e-10 ] [ 7.79487e-10 3.27794e-11 8.006360000000001e-10 ] [ 6.54326e-10 2.36157e-10 4.43569e-11 ] [ 6.58001e-10 2.40647e-10 2.9796700000000003e-10 ] [ 6.74105e-10 2.32551e-10 5.05787e-10 ] [ 6.35624e-10 2.3677899999999997e-10 8.105930000000001e-10 ] [ 5.584469999999999e-10 4.85785e-10 3.31316e-11 ] [ 5.18105e-10 4.71119e-10 2.66831e-10 ] [ 5.113470000000001e-10 4.91069e-10 5.65221e-10 ] [ 5.262590000000001e-10 5.22511e-10 8.025510000000001e-10 ] [ 3.84325e-10 6.898500000000001e-10 2.90269e-11 ] [ 3.8973e-10 7.018220000000001e-10 2.77996e-10 ] [ 3.85324e-10 7.1029e-10 5.03452e-10 ] [ 3.69095e-10 7.15117e-10 7.826260000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.1200221 -1.1361819 -2.3882949 ] [ -2.6673787 1.6135883 -3.6157275 ] [ -2.788247 4.6623706 4.1963877 ] [ -0.9695788 1.3873895 1.2399301 ] [ 0.5727778 2.7888344 -0.1828384 ] [ -3.3375299 -2.099896 -0.019241 ] [ 9.1198697 -1.6993387 1.7958183 ] [ 1.2551268 -1.2514899 -1.0238458 ] [ 3.1029875 -0.7779187 2.7990521 ] [ -0.5089285 -0.6269017 -2.0462951 ] [ 0.5527514 1.5795472 1.9564447 ] [ 2.9601133 0.9881574 -2.7550192 ] [ 2.4931659 8.6286342 2.418738 ] [ 0.1557162 -0.220738 -0.4050621 ] [ 1.1394951 0.6991344 -1.6042561 ] [ 6.7425782 5.7959833 -2.6808566 ] [ -3.2067429 3.4062636 -0.8377922 ] [ 3.9374255 1.6734291 0.2082144 ] [ 4.8392964 -2.0045195 0.1202433 ] [ 1.1283586 0.566142 0.8293395 ] [ 0.8039415 -4.1380356 0.175307 ] [ 4.5013812 -3.0696216 -3.684477 ] [ -2.204485 -1.411214 8.4805772 ] [ -0.912228 -0.9973641 -4.4551092 ] [ -8.7962783 1.0753012 0.4122104 ] [ -1.5321902 4.4332223 -1.4691387 ] [ -3.2948694 -0.500688 6.5083011 ] [ -2.486356 2.851438 -3.958234 ] [ 3.1234995 -3.060576 -0.5321157 ] [ 0.3707094 -0.663466 -0.5200718 ] [ -5.3743019 4.5516775 -41.9109162 ] [ 3.7910894 -4.1559732 43.7047484 ] [ 4.8262907 -3.0185403 -3.5220818 ] [ 3.6390791 3.5677719 4.5392693 ] [ -4.7335355 1.5377288 -8.020851 ] [ -1.7299955 0.2445509 6.0410176 ] [ -1.0855572 0.6807812 0.1963983 ] [ -1.3704911 -1.1644082 3.1603657 ] [ 3.1155225 -2.2522141 -1.8422221 ] [ 6.3780835 -2.7741517 -0.2482894 ] [ 6.9068105 -0.2681774 3.5679564 ] [ 4.8948313 3.5861709 -10.3153127 ] [ 2.9321487 2.2738806 6.8705403 ] [ 0.8730294 1.9575583 -2.1208167 ] [ -1.8558693 8.882723 2.7487038 ] [ 1.2402403 1.7556114 2.7692466 ] [ 0.9180937 -0.5308686 -2.9776959 ] [ -3.5416128 1.8828723 -0.8583226 ] [ -2.1912935 -3.7556288 -4.5707335 ] [ -0.6828823 -1.1235026 4.1910259 ] [ 0.0236847 2.2280814 -1.0484731 ] [ -0.3452113 -0.9118985 1.3778071 ] [ -0.471947 -1.0814629 -0.7203044 ] [ -4.9215942 -1.7725551 -7.883495 ] [ -4.0861447 -0.5712683 6.1161383 ] [ -3.6476795 0.0557746 0.328303 ] [ -6.4109257 -8.6274489 1.4363498 ] [ -0.3995711 -1.9544095 0.4574634 ] [ -1.0232113 -2.6663653 -0.1383966 ] [ -5.6412864 -7.3685049 0.1447758 ] [ -0.5773505 0.1608021 -2.7982999 ] [ -2.7463028 -3.1524035 -1.5249194 ] [ -2.4381625 -4.0328354 3.9478232 ] [ -1.478381 -0.6748536 -0.0589914 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.998826506183611e-09 -1.8203640921537245e-09 -3.826470283881367e-09 ] [ -4.273611827169296e-09 2.585253471155782e-09 -5.793034115411235e-09 ] [ -4.467264193220598e-09 7.46994123436856e-09 6.723354320145002e-09 ] [ -1.553436498181759e-09 2.222843039156943e-09 1.9865870340132835e-09 ] [ 9.176912076339252e-10 4.468205311775409e-09 -2.9293941227794563e-10 ] [ -5.347312421056357e-09 -3.3644043050300644e-09 -3.0827480614794e-11 ] [ 1.461164213846459e-08 -2.7226407583919358e-09 2.8772181191696025e-09 ] [ 2.0109348316671912e-09 -2.0051078754669965e-09 -1.640381817579037e-09 ] [ 4.971534068094075e-09 -1.2463631642916558e-09 4.484575871968631e-09 ] [ -8.15393351076669e-10 -1.0044072555548778e-09 -3.2785261954886933e-09 ] [ 8.856053774907876e-10 2.530713616140125e-09 3.1345699840531397e-09 ] [ 4.742624363252633e-09 1.5832026969941916e-09 -4.4140273884613726e-09 ] [ 3.994492149665581e-09 1.3824596098573284e-08 3.875245507367892e-09 ] [ 2.494848571752708e-10 -3.5366126583589196e-10 -6.489810319389713e-10 ] [ 1.8256724237774933e-09 1.1201367997056098e-09 -2.5703016383719675e-09 ] [ 1.0802801244957778e-08 9.286189014314212e-09 -4.295205803624684e-09 ] [ -5.137768545625398e-09 5.457435949164723e-09 -1.3422910869874548e-09 ] [ 6.308451134215767e-09 2.681129002675649e-09 3.335962465423296e-10 ] [ 7.753407617080318e-09 -3.211594305297363e-09 1.926510056550522e-10 ] [ 1.8078297836929526e-09 9.07059483926028e-10 1.328748368553243e-09 ] [ 1.288056286402911e-09 -6.629863948980171e-09 2.8087277917663797e-10 ] [ 7.212007779366881e-09 -4.918076002741694e-09 -5.903182957910418e-09 ] [ -3.53197435700349e-09 -2.261014096373676e-09 1.3587382632673147e-08 ] [ -1.4615503864805521e-09 -1.5979534566104394e-09 -7.137871862158433e-09 ] [ -1.4093191558421243e-08 1.7228224571521607e-09 6.604338711717936e-10 ] [ -2.4548393372837867e-09 7.102805182387738e-09 -2.3538196972451357e-09 ] [ -5.2789627647616e-09 -8.02190614524192e-10 1.0427447949456497e-08 ] [ -3.983581487005704e-09 4.568507336899692e-09 -6.341790026704356e-09 ] [ 5.004397915210683e-09 -4.903583353781184e-09 -8.525433411245537e-10 ] [ 5.939419386841596e-10 -1.062989722653444e-09 -8.332468859623211e-10 ] [ -8.610580928241805e-09 7.292591336003536e-09 -6.714869064517208e-08 ] [ 6.07399485408508e-09 -6.6586031525702085e-09 7.002272668132889e-08 ] [ 7.732570188431504e-09 -4.83623473744735e-09 -5.642997162996661e-09 ] [ 5.830447503297749e-09 5.716200773621784e-09 7.272711207893536e-09 ] [ -7.583959974309508e-09 2.463713152788859e-09 -1.2850820056995534e-08 ] [ -2.771758367025147e-09 3.918137378036706e-10 9.678777244302758e-09 ] [ -1.7392543807104648e-09 1.0907317315064808e-09 3.146647672173222e-10 ] [ -2.195768817524957e-09 -1.865587610477999e-09 5.063464079435054e-09 ] [ 4.991617352201265e-09 -3.60844480578534e-09 -2.9515652032584114e-09 ] [ 1.0218816353400939e-08 -4.444681032911378e-09 -3.978034751498796e-10 ] [ 1.1065930398565856e-08 -4.296675640468716e-10 5.716496375210758e-09 ] [ 7.842384336231844e-09 5.745679221510751e-09 -1.652695298034345e-08 ] [ 4.697820134553476e-09 3.6431583658259003e-09 1.100781913161535e-08 ] [ 1.3987473054750395e-09 3.1363541679527623e-09 -3.397922961736988e-09 ] [ -2.973430428217936e-09 1.4231691236894383e-08 4.403909002147009e-09 ] [ 1.9870840292051502e-09 2.812799563464028e-09 4.436822196303944e-09 ] [ 1.4709482739626057e-09 -8.505452666442924e-10 -4.770794794137601e-09 ] [ -5.674289274835315e-09 3.0166940038658384e-09 -1.3751844141541285e-09 ] [ -3.510839243936079e-09 -6.0171807093374595e-09 -7.32312241394104e-09 ] [ -1.0940980648321782e-09 -1.8000496139582482e-09 6.71476376946882e-09 ] [ 3.79470729232998e-11 3.569779957730008e-09 -1.6798391021975455e-09 ] [ -5.530894786527642e-10 -1.461022469279649e-09 2.2074903417793015e-09 ] [ -7.56142455886398e-10 -1.7326945889178785e-09 -1.1540548790473896e-09 ] [ -7.885263229269924e-09 -2.839946363697533e-09 -1.263075148325583e-08 ] [ -6.54672556148294e-09 -9.152727220049022e-10 9.799133874572483e-09 ] [ -5.844226863220803e-09 8.93607608906964e-11 5.25999395472102e-10 ] [ -1.0271435358850093e-08 -1.3822697038609001e-08 2.301286087810573e-09 ] [ -6.401834800416774e-10 -3.131309234167623e-09 7.329371703901956e-10 ] [ -1.6393652365047642e-09 -4.2719881813684e-09 -2.2173579874504441e-10 ] [ -9.038337255781978e-09 -1.1805646378294506e-08 2.319564039286572e-10 ] [ -9.25017480728217e-10 2.576333673181314e-10 -4.483370714704537e-09 ] [ -4.400062176048775e-09 -5.0507072286398194e-09 -2.4431902314132994e-09 ] [ -3.906366987395025e-09 -6.4613146466480434e-09 6.325110086203109e-09 ] [ -2.368627494349554e-09 -1.0812346692907825e-09 -9.45146426869476e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -221.02719 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.541245992966784e-17 } }