{ "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" [ 10.6918135 0 0 ] "si-unit" "m" "si-value" [ 1.06918135e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6918135 0 ] "si-unit" "m" "si-value" [ 0.0 1.06918135e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6918135 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06918135e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.16800036147 2.1070625 1.8076035 ] [ 2.73995327948 0.383781 1.6819345 ] [ 2.9827971826 3.4748875 2.4087685 ] [ 4.5129331312 3.0762035 0.6528642 ] [ 0.663015851293 0.1889434 4.6107535 ] [ 4.3755303149 0.8042952000000001 3.3728025 ] [ 3.44984878095 4.4798205 4.4571185 ] [ 1.46436017067 0.4223032 6.8435285 ] [ 5.29837187931 1.0662005 5.5332725 ] [ 1.63338069532 2.8475735 6.4635595 ] [ 1.53395240116 5.0773655 5.5728155 ] [ 3.50130831276 3.5996135 7.7578475 ] [ 4.93586909094 3.3526415 5.8481685 ] [ 1.15753848424 2.5132555 10.1291335 ] [ 2.18622398529 0.2960209 10.0500635 ] [ 3.80530048971 1.4175585 8.740277500000001 ] [ 0.036569893703 3.3497745 8.103115500000001 ] [ 2.86444461635 4.2240855 10.0260635 ] [ 1.20592138488 7.519157499999999 0.4495201 ] [ 2.09098058323 5.4350825 1.3546225 ] [ 3.94970498636 6.5132805 2.3249515 ] [ 4.3388629933 8.413377500000001 1.0604515 ] [ 0.6425005990220001 5.4467425 3.2998535 ] [ 3.40476149937 8.037043500000001 4.0586475 ] [ 1.71859661529 9.475148500000001 3.0566815 ] [ 5.1629115254 9.3393095 3.1300675 ] [ 1.71066002713 7.8789175 7.915814500000001 ] [ 4.580622465 7.0578205 5.8929585 ] [ 2.95826505038 5.9474755 7.2429025 ] [ 0.5341807132430001 8.985822500000001 6.0908595 ] [ 3.81771582421 10.6261235 6.9125755 ] [ 0.08766329089600002 6.7554575 9.2413725 ] [ 2.83297366295 8.690615500000002 9.879651500000001 ] [ 5.97325576415 1.4934605 1.7648885 ] [ 7.67631180718 2.9570985 1.0387225 ] [ 6.17647646957 4.7508595 0.8890508 ] [ 9.608842061430002 5.2731795 -0.004293889999999995 ] [ 9.053526705280001 0.565288 4.1954595 ] [ 9.039303445120002 2.7023585 5.1509225 ] [ 6.16514864381 4.6952435 3.2077605 ] [ 8.36193373431 3.8617695 3.1143055 ] [ 10.6663821584 3.2371885 3.5114545 ] [ 7.30419566039 2.3243995 7.7963345 ] [ 10.1385075679 1.0079125 7.8899595 ] [ 7.24667047232 4.0641875 6.1054035 ] [ 6.05070580736 0.9913915000000001 9.267350500000001 ] [ 9.82939581597 1.1949985 10.2107335 ] [ 6.77436313894 4.5082925 8.4654155 ] [ 8.687297525890001 3.3067315 9.5336025 ] [ 6.52932227469 7.994760499999999 0.5750025000000001 ] [ 9.23132443747 5.9017545 2.2816045 ] [ 6.77896513224 10.3541735 0.425886 ] [ 10.4864331782 8.7925485 1.8873705 ] [ 9.078366021050002 9.7723735 0.2206551 ] [ 6.36934981912 6.6801755 4.3742585 ] [ 9.259839020900001 7.8079165 3.7307415 ] [ 7.58045749071 9.499190500000001 3.6778385 ] [ 6.84031139477 7.1596575 6.6835965 ] [ 8.419495164750002 6.1148125 5.3583265 ] [ 5.87826567141 9.9598735 7.7446875 ] [ 7.33570836414 9.353637500000001 6.0413285 ] [ 9.31179593709 9.539784500000001 7.3083485 ] [ 7.54354720921 6.2443135 10.0159935 ] [ 8.91983368356 8.154578500000001 9.1960885 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1680003614700002e-10 2.1070625e-10 1.8076034999999999e-10 ] [ 2.73995327948e-10 3.83781e-11 1.6819345000000003e-10 ] [ 2.9827971826e-10 3.4748875e-10 2.4087685e-10 ] [ 4.5129331311999996e-10 3.0762035000000003e-10 6.528642e-11 ] [ 6.63015851293e-11 1.8894340000000003e-11 4.6107535000000004e-10 ] [ 4.3755303149e-10 8.042952000000001e-11 3.3728025e-10 ] [ 3.44984878095e-10 4.4798204999999997e-10 4.4571185e-10 ] [ 1.46436017067e-10 4.223032e-11 6.8435285e-10 ] [ 5.29837187931e-10 1.0662005000000002e-10 5.5332725e-10 ] [ 1.6333806953200001e-10 2.8475735000000004e-10 6.4635595e-10 ] [ 1.53395240116e-10 5.0773655e-10 5.5728155e-10 ] [ 3.50130831276e-10 3.5996135e-10 7.757847499999999e-10 ] [ 4.93586909094e-10 3.3526415e-10 5.8481685e-10 ] [ 1.1575384842400001e-10 2.5132555000000003e-10 1.01291335e-09 ] [ 2.1862239852899998e-10 2.960209e-11 1.0050063500000001e-09 ] [ 3.8053004897100003e-10 1.4175585e-10 8.740277500000001e-10 ] [ 3.6569893703e-12 3.3497745000000003e-10 8.103115500000001e-10 ] [ 2.8644446163500004e-10 4.2240855000000005e-10 1.00260635e-09 ] [ 1.2059213848799998e-10 7.519157499999999e-10 4.495201e-11 ] [ 2.09098058323e-10 5.4350825e-10 1.3546225e-10 ] [ 3.94970498636e-10 6.5132805e-10 2.3249515e-10 ] [ 4.3388629933000004e-10 8.413377500000001e-10 1.0604515000000002e-10 ] [ 6.425005990220001e-11 5.446742500000001e-10 3.2998535000000003e-10 ] [ 3.40476149937e-10 8.037043500000002e-10 4.0586475000000005e-10 ] [ 1.71859661529e-10 9.4751485e-10 3.0566814999999997e-10 ] [ 5.162911525400001e-10 9.3393095e-10 3.1300675000000004e-10 ] [ 1.7106600271300003e-10 7.8789175e-10 7.915814500000001e-10 ] [ 4.5806224650000006e-10 7.0578205e-10 5.8929585e-10 ] [ 2.95826505038e-10 5.947475500000001e-10 7.2429025e-10 ] [ 5.341807132430001e-11 8.985822500000001e-10 6.0908595e-10 ] [ 3.81771582421e-10 1.06261235e-09 6.9125755e-10 ] [ 8.766329089600002e-12 6.755457500000001e-10 9.241372500000001e-10 ] [ 2.8329736629500004e-10 8.690615500000002e-10 9.879651500000002e-10 ] [ 5.973255764150001e-10 1.4934605000000001e-10 1.7648885000000002e-10 ] [ 7.676311807180001e-10 2.9570985e-10 1.0387225e-10 ] [ 6.17647646957e-10 4.7508595e-10 8.890508000000001e-11 ] [ 9.608842061430001e-10 5.273179500000001e-10 -4.2938899999999947e-13 ] [ 9.053526705280001e-10 5.65288e-11 4.1954595e-10 ] [ 9.039303445120002e-10 2.7023585e-10 5.1509225e-10 ] [ 6.16514864381e-10 4.6952435e-10 3.2077605000000004e-10 ] [ 8.36193373431e-10 3.8617695e-10 3.1143055e-10 ] [ 1.06663821584e-09 3.2371885e-10 3.5114545e-10 ] [ 7.30419566039e-10 2.3243995000000004e-10 7.796334500000001e-10 ] [ 1.01385075679e-09 1.0079125e-10 7.8899595e-10 ] [ 7.246670472320001e-10 4.0641875000000004e-10 6.105403500000001e-10 ] [ 6.05070580736e-10 9.913915000000001e-11 9.267350500000001e-10 ] [ 9.82939581597e-10 1.1949985e-10 1.0210733500000001e-09 ] [ 6.774363138940001e-10 4.5082924999999995e-10 8.465415500000001e-10 ] [ 8.687297525890001e-10 3.3067315000000003e-10 9.533602500000002e-10 ] [ 6.52932227469e-10 7.994760499999999e-10 5.750025000000001e-11 ] [ 9.231324437470001e-10 5.9017545e-10 2.2816044999999998e-10 ] [ 6.77896513224e-10 1.0354173500000001e-09 4.25886e-11 ] [ 1.0486433178200001e-09 8.7925485e-10 1.8873705e-10 ] [ 9.078366021050002e-10 9.7723735e-10 2.206551e-11 ] [ 6.36934981912e-10 6.6801755e-10 4.3742585e-10 ] [ 9.259839020900002e-10 7.807916500000001e-10 3.7307415e-10 ] [ 7.58045749071e-10 9.4991905e-10 3.6778385000000003e-10 ] [ 6.840311394769999e-10 7.1596575e-10 6.6835965e-10 ] [ 8.419495164750002e-10 6.1148125e-10 5.3583265e-10 ] [ 5.878265671410001e-10 9.959873500000002e-10 7.7446875e-10 ] [ 7.335708364140001e-10 9.353637500000001e-10 6.041328499999999e-10 ] [ 9.31179593709e-10 9.539784500000002e-10 7.3083485e-10 ] [ 7.54354720921e-10 6.2443135e-10 1.0015993500000001e-09 ] [ 8.91983368356e-10 8.154578500000001e-10 9.1960885e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2661073 0.3427118 1.2234877 ] [ -0.3036476 -1.7041862 0.396798 ] [ 1.6101441 -2.6373463 1.2579787 ] [ -0.6792631 -0.8196058 -1.3907084 ] [ -0.1920342 1.6390863 -3.2189881 ] [ 0.7929976 0.8719605 -0.3923736 ] [ 3.5280439 0.7802517 -1.7302571 ] [ 1.8555836 1.4610705 1.078762 ] [ 0.5838183 0.9633705 -1.1806361 ] [ 0.3254797 0.3720304 -0.7584323 ] [ -1.8442065 0.7340194 -0.1558699 ] [ 0.833817 -0.8267499 -0.0933285 ] [ 0.9880166 0.1053702 -0.2606501 ] [ 2.0714182 1.7443422 1.4982389 ] [ 1.015184 -1.0470964 -1.7878234 ] [ -0.4569173 1.3778779 2.0941178 ] [ 0.9087389 3.6440156 -2.1642316 ] [ -0.614861 0.8989705 -1.6858398 ] [ 0.2233858 -0.3535715 0.9155238 ] [ -0.5318707 2.1904138 -0.0209921 ] [ 0.6573507 -2.9444231 -0.232147 ] [ -0.1240352 0.3054057 -2.3137737 ] [ -0.6468693 1.192997 -0.576424 ] [ -1.1962225 -0.0289298 1.5673119 ] [ -0.1940235 0.7783879 -0.0037614 ] [ 1.6337333 1.6215483 1.4312007 ] [ 0.7702719 -0.9229098 -1.1466693 ] [ -4.1504902 -0.4247695 1.0688459 ] [ 0.176678 1.7026413 0.931678 ] [ -1.6398213 -3.9897861 -0.0836186 ] [ -1.2341197 -0.555253 -0.5176267 ] [ -0.1934089 0.4731798 -0.1137827 ] [ -0.3811242 0.9868949 0.1776389 ] [ 0.1168844 -1.3747289 -0.2946138 ] [ 3.078652 -2.47182 -0.4259553 ] [ -2.3351603 2.1110154 -1.4066525 ] [ 0.5948245 -0.0095797 0.1655284 ] [ 0.3061269 -0.105125 0.0841456 ] [ -0.736867 -1.8954349 3.9489969 ] [ -3.6031673 1.2276219 3.355608 ] [ -0.7064101 1.1253684 -1.7218039 ] [ 3.6118669 -0.8446589 0.3242063 ] [ 1.8654811 -6.5813288 -0.2127865 ] [ -3.4641007 -2.4922352 -1.8006251 ] [ -0.6997879 0.2174958 -3.1897961 ] [ 0.0522457 0.290453 0.5443565 ] [ -1.4638856 -2.4607043 2.9240813 ] [ -3.5857503 5.3808338 0.621263 ] [ 0.742636 -0.0965693 2.7852384 ] [ -0.477806 -0.7114923 0.429976 ] [ -0.3938365 -0.1875303 -0.911967 ] [ 0.2467968 0.8822068 0.5553574 ] [ 0.2873781 -0.4415022 -0.3249071 ] [ 0.4654001 0.3154236 0.2278729 ] [ -1.6691297 1.038904 -7.8906598 ] [ 0.7972944 1.3873684 0.4717078 ] [ -0.9749988 -1.3047819 -0.2398801 ] [ 1.0845241 1.4684035 7.2882538 ] [ 3.9595417 -1.7624602 0.6860822 ] [ 1.4718936 -2.7463328 1.2173614 ] [ 1.0467471 1.2387472 0.8079222 ] [ -1.6709312 -1.0589417 -0.4833694 ] [ -0.7850408 0.9458801 -0.27249 ] [ 0.5129398 0.9835859 -1.0760997 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.028527515484212e-09 5.490848336322855e-10 1.960243388776364e-09 ] [ -4.864970856820301e-10 -2.730407287129993e-09 6.357404787801984e-10 ] [ 2.5797352331390574e-09 -4.225494582813383e-09 2.015504062604377e-09 ] [ -1.0882994581921326e-09 -1.3131532510320809e-09 -2.2281604848301747e-09 ] [ -3.0767270563403134e-10 2.626105749333575e-09 -5.157387476453413e-09 ] [ 1.27052221507051e-09 1.3970347273610784e-09 -6.286518085391309e-10 ] [ 5.652549453736054e-09 1.2501010320794554e-09 -2.7721774735932076e-09 ] [ 2.9729726618598993e-09 2.3408929964405664e-09 1.7283672558074496e-09 ] [ 9.353800310552007e-10 1.5434896922684064e-09 -1.891587557092491e-09 ] [ 5.214759658849977e-10 5.960584091068723e-10 -1.2151424995195718e-09 ] [ -2.9547445382273954e-09 1.1760287218936435e-09 -2.4973110966643395e-10 ] [ 1.3359221034255937e-09 -1.324599361028738e-09 -1.495287407543328e-10 ] [ 1.5829770974823054e-09 1.6882167096902015e-10 -4.176074964291821e-10 ] [ 3.318777811939619e-09 2.794744291514838e-09 2.4004433379531093e-09 ] [ 1.6265040706102273e-09 -1.6776333718038452e-09 -2.8644088535991667e-09 ] [ -7.320622156990599e-10 2.2076037576970005e-09 3.35514658036113e-09 ] [ 1.4559602199915091e-09 5.838356600150484e-09 -3.467481271516577e-09 ] [ -9.851159192417089e-10 1.4403095178888865e-09 -2.7010131139741483e-09 ] [ 3.5790350617870464e-10 -5.664839910811872e-10 1.4668308281459751e-09 ] [ -8.521508008285306e-10 3.5094297802376872e-09 -3.363305184149568e-11 ] [ 1.0531919232065146e-09 -4.71748585256346e-09 -3.719404959888576e-10 ] [ -1.9872629759625218e-10 4.893138723990586e-10 -3.707074127961913e-09 ] [ -1.0363988691732615e-09 1.911391902084538e-09 -9.235330564680193e-10 ] [ -1.916559722774928e-09 -4.635064920441984e-11 2.5111104836816276e-09 ] [ -3.1085991558578877e-10 1.2471148952936084e-09 -6.02642714147712e-12 ] [ 2.617529297882433e-09 2.5980067757579845e-09 2.2930363012125945e-09 ] [ 1.2341116298391955e-09 -1.478664504667204e-09 -1.8371667442491014e-09 ] [ -6.6498183632995166e-09 -6.805557621289057e-10 1.7124799122179346e-09 ] [ 2.8306936100970244e-10 2.7279320844685193e-09 1.4927127097137024e-09 ] [ -2.627283349149863e-09 -6.392342011412811e-09 -1.3397176598402689e-10 ] [ -1.97727773060871e-09 -8.896133752290625e-10 -8.293293970418554e-10 ] [ -3.0987521783464513e-10 7.581176129948199e-10 -1.8229998179150017e-10 ] [ -6.106282828611035e-10 1.581179935966754e-09 2.846088925246291e-10 ] [ 1.8726945301623552e-10 -2.202558503518101e-09 -4.720233425250471e-10 ] [ 4.932544257979162e-09 -3.960292214825856e-09 -6.824556231658502e-10 ] [ -3.741339238480315e-09 3.38221952002876e-09 -2.253705749089872e-09 ] [ 9.530139073790495e-10 -1.534837137427776e-11 2.652057325584307e-10 ] [ 4.904693621779795e-10 -1.684288172616e-10 1.3481611306318849e-10 ] [ -1.1805910800390336e-09 -3.036821483028386e-09 6.3269905087916755e-09 ] [ -5.77291040889106e-09 1.9668671073620755e-09 5.376276686169447e-09 ] [ -1.1317937469169902e-09 1.8030389402671027e-09 -2.758633954182261e-09 ] [ 5.786848704621372e-09 -1.3532927421306452e-09 5.194357541760711e-10 ] [ 2.988830204964267e-09 -1.0544451137157719e-08 -3.409215555218592e-10 ] [ -5.550101153636915e-09 -3.993000970974812e-09 -2.884919438045662e-09 ] [ -1.1211838128987284e-09 3.4846668588219263e-10 -5.110616736539019e-09 ] [ 8.370683907733056e-11 4.6535700604122247e-10 8.721552576805152e-10 ] [ -2.3454032838457805e-09 -3.94248290016203e-09 4.684894696178472e-09 ] [ -5.7450052986865864e-09 8.621046114770423e-09 9.953730539680704e-10 ] [ 1.1898340369644287e-09 -1.5472107474702143e-10 4.462443847834399e-09 ] [ -7.655296024779648e-10 -1.1399363289392197e-09 6.888974947051009e-10 ] [ -6.309956327176992e-10 -3.0045666235161025e-10 -1.4611322063411136e-09 ] [ 3.9541206304825347e-10 1.4134511096707814e-09 8.897806424682739e-10 ] [ 4.6043047314992456e-10 -7.073645028717658e-10 -5.205585595519277e-10 ] [ 7.456531595379821e-10 5.053643175685709e-10 3.650926328938963e-10 ] [ -2.674240582422918e-09 1.6645077000556033e-09 -1.2642230654246404e-08 ] [ 1.2774064475747635e-09 2.2228092149167025e-09 7.557592090090022e-10 ] [ -1.5621202826680551e-09 -2.0904910554230038e-09 -3.843302880151661e-10 ] [ 1.7375991577141615e-09 2.3526417576008927e-09 1.167706984481676e-08 ] [ 6.343885140822688e-09 -2.8237725275304924e-09 1.0992248607870297e-09 ] [ 2.358233514225147e-09 -4.400110205096202e-09 1.950427974144357e-09 ] [ 1.6770737315101997e-09 1.9846918029214616e-09 1.2944340602653018e-09 ] [ -2.677126903605289e-09 -1.6966116345302077e-09 -7.744431518901236e-10 ] [ -1.2577740161341286e-09 1.5154669822999661e-09 -4.3657710740179205e-10 ] [ 8.218201554378278e-10 1.5758783335285268e-09 -1.724101780989894e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -221.89658 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.555175127114769e-17 } }