{ "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" [ 10.7273634 0 0 ] "si-unit" "m" "si-value" [ 1.07273634e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7273634 0 ] "si-unit" "m" "si-value" [ 0.0 1.07273634e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7273634 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07273634e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.21377030452 0.0563125 1.2912944 ] [ 0.8976564746510001 3.4276614 0.9628184 ] [ 2.77184944462 4.8519534 0.8880078 ] [ 3.06442978639 1.0867944 3.4618754 ] [ 4.85618615881 2.5758984 3.1287184 ] [ 1.27636094377 2.7351484 3.2348454 ] [ 0.032681315581 4.0814974 4.7880054 ] [ 3.19259516734 4.2357514 3.0949614 ] [ 1.74549016635 0.501631 7.0866474 ] [ 2.71083373678 2.5436094 6.2571034 ] [ 1.82844083884 4.6881544 6.1646784 ] [ 5.00120999727 2.7830024 6.7832324 ] [ 1.67937095052 2.5162484 8.4980134 ] [ 5.29608974566 2.0928404 9.890123399999998 ] [ 3.09394978387 1.1886634 9.892166399999999 ] [ 2.19610230631 4.8460154 8.4728544 ] [ 4.10627732065 4.1877604 9.777425399999998 ] [ 2.49273626885 7.1689504 0.7237711 ] [ 0.73244835583 7.4255494 2.1496434 ] [ 1.08234378554 9.723728399999999 2.1337024 ] [ 4.24974133584 8.6601764 1.1778904 ] [ 2.26042799741 7.4935164 4.0763194 ] [ 3.50755280462 5.6931804 4.9409694 ] [ 4.06473515015 10.2643734 4.9103844 ] [ 4.35512425166 8.3895594 3.4931584 ] [ 4.51304527492 6.6599684 6.8717674 ] [ 2.08341822783 9.2189044 5.7439464 ] [ 0.112207971214 5.6723194 9.331266399999999 ] [ 1.26875704576 7.7639324 9.573386399999999 ] [ 5.20306083258 7.8442044 9.915327399999999 ] [ 3.38272000618 8.069854399999999 8.440456399999999 ] [ 3.69611531697 10.4059334 8.2278364 ] [ 5.41540082438 1.1462964 1.3210624 ] [ 9.09054030464 1.4714254 1.1371174 ] [ 8.261713410039999 3.6176724 1.7455734 ] [ 9.919850788069999 4.9974894 0.7567007 ] [ 9.957896203299999 1.3933974 3.2790474 ] [ 8.11804548957 1.7933464 4.7329544 ] [ 7.31540690772 5.0229914 3.4637784 ] [ 6.30859955646 3.3387054 4.8486364 ] [ 5.36954795201 0.4386996000000001 6.7246454 ] [ 9.74027952725 2.5346444 6.2391424 ] [ 9.997682502 0.3599027 7.1984124 ] [ 5.52914919646 4.8406564 7.9491614 ] [ 8.1538711563 3.7096894 7.4199644 ] [ 10.6976259251 1.9115034 10.1381034 ] [ 7.14907794402 3.5607304 10.4412534 ] [ 9.34037320928 3.7444664 9.4750114 ] [ 7.38703191253 10.4864334 1.1552294 ] [ 8.28344407597 8.2361054 0.5297284 ] [ 10.5679422858 8.918648399999999 0.3456757 ] [ 6.41012104365 7.2384134 3.7545914 ] [ 9.352619032389999 5.9295864 4.3603854 ] [ 7.91565831886 8.8332904 2.7955764 ] [ 9.931558472039999 9.8311864 3.5268204 ] [ 6.52045266264 7.6029404 6.0913674 ] [ 8.13745620109 5.8666654 6.4194484 ] [ 10.3457696753 6.9372664 6.2938964 ] [ 7.79511297434 8.837734399999999 7.6624984 ] [ 7.72653566934 10.7927734 6.3149904 ] [ 10.4285057725 9.233206399999998 5.7226844 ] [ 6.00220265615 5.5979944 10.1644834 ] [ 9.108498232839999 6.9809244 8.275955399999999 ] [ 6.87664920361 9.475838399999999 9.749998399999999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.21377030452e-10 5.63125e-12 1.2912944e-10 ] [ 8.976564746510001e-11 3.4276614e-10 9.628184e-11 ] [ 2.77184944462e-10 4.851953400000001e-10 8.880078e-11 ] [ 3.06442978639e-10 1.0867944e-10 3.4618753999999997e-10 ] [ 4.85618615881e-10 2.5758984e-10 3.1287184e-10 ] [ 1.2763609437700002e-10 2.7351484e-10 3.2348454e-10 ] [ 3.2681315581000004e-12 4.0814974e-10 4.788005400000001e-10 ] [ 3.19259516734e-10 4.2357514e-10 3.0949614e-10 ] [ 1.7454901663500002e-10 5.0163100000000004e-11 7.0866474e-10 ] [ 2.7108337367800005e-10 2.5436094e-10 6.257103400000001e-10 ] [ 1.82844083884e-10 4.6881544e-10 6.1646784e-10 ] [ 5.00120999727e-10 2.7830024e-10 6.7832324e-10 ] [ 1.67937095052e-10 2.5162484e-10 8.4980134e-10 ] [ 5.29608974566e-10 2.0928404e-10 9.8901234e-10 ] [ 3.09394978387e-10 1.1886634e-10 9.8921664e-10 ] [ 2.19610230631e-10 4.8460154e-10 8.472854399999999e-10 ] [ 4.10627732065e-10 4.1877604e-10 9.7774254e-10 ] [ 2.49273626885e-10 7.1689504e-10 7.237711e-11 ] [ 7.3244835583e-11 7.425549400000001e-10 2.1496434e-10 ] [ 1.08234378554e-10 9.723728399999999e-10 2.1337024000000002e-10 ] [ 4.2497413358399996e-10 8.660176399999999e-10 1.1778904e-10 ] [ 2.26042799741e-10 7.4935164e-10 4.0763194000000003e-10 ] [ 3.50755280462e-10 5.6931804e-10 4.9409694e-10 ] [ 4.06473515015e-10 1.02643734e-09 4.9103844e-10 ] [ 4.355124251660001e-10 8.3895594e-10 3.4931584e-10 ] [ 4.5130452749199996e-10 6.659968400000001e-10 6.871767400000001e-10 ] [ 2.0834182278300002e-10 9.2189044e-10 5.7439464e-10 ] [ 1.12207971214e-11 5.672319400000001e-10 9.3312664e-10 ] [ 1.26875704576e-10 7.7639324e-10 9.573386399999999e-10 ] [ 5.203060832580001e-10 7.8442044e-10 9.9153274e-10 ] [ 3.38272000618e-10 8.069854399999999e-10 8.440456399999999e-10 ] [ 3.69611531697e-10 1.04059334e-09 8.2278364e-10 ] [ 5.41540082438e-10 1.1462964000000001e-10 1.3210624e-10 ] [ 9.09054030464e-10 1.4714254000000001e-10 1.1371174e-10 ] [ 8.261713410039999e-10 3.6176724e-10 1.7455734e-10 ] [ 9.91985078807e-10 4.9974894e-10 7.567007e-11 ] [ 9.957896203299999e-10 1.3933974e-10 3.2790474e-10 ] [ 8.118045489569999e-10 1.7933464e-10 4.7329544e-10 ] [ 7.31540690772e-10 5.022991400000001e-10 3.4637784e-10 ] [ 6.30859955646e-10 3.3387054e-10 4.8486364e-10 ] [ 5.36954795201e-10 4.386996000000001e-11 6.7246454e-10 ] [ 9.740279527249999e-10 2.5346444e-10 6.2391424e-10 ] [ 9.997682502e-10 3.5990270000000004e-11 7.1984124e-10 ] [ 5.52914919646e-10 4.840656400000001e-10 7.949161400000001e-10 ] [ 8.1538711563e-10 3.7096894e-10 7.4199644e-10 ] [ 1.0697625925100002e-09 1.9115034e-10 1.0138103400000001e-09 ] [ 7.149077944020001e-10 3.5607304000000004e-10 1.0441253400000001e-09 ] [ 9.34037320928e-10 3.7444664e-10 9.4750114e-10 ] [ 7.38703191253e-10 1.04864334e-09 1.1552294000000001e-10 ] [ 8.28344407597e-10 8.236105399999999e-10 5.2972840000000004e-11 ] [ 1.05679422858e-09 8.918648399999999e-10 3.4567569999999996e-11 ] [ 6.41012104365e-10 7.2384134e-10 3.7545914e-10 ] [ 9.35261903239e-10 5.9295864e-10 4.3603854000000004e-10 ] [ 7.91565831886e-10 8.8332904e-10 2.7955764e-10 ] [ 9.93155847204e-10 9.8311864e-10 3.5268204e-10 ] [ 6.52045266264e-10 7.6029404e-10 6.091367400000001e-10 ] [ 8.13745620109e-10 5.8666654e-10 6.4194484e-10 ] [ 1.03457696753e-09 6.937266400000001e-10 6.293896400000001e-10 ] [ 7.795112974340001e-10 8.837734399999999e-10 7.6624984e-10 ] [ 7.726535669339999e-10 1.07927734e-09 6.3149904e-10 ] [ 1.04285057725e-09 9.233206399999999e-10 5.7226844e-10 ] [ 6.00220265615e-10 5.597994400000001e-10 1.01644834e-09 ] [ 9.108498232839999e-10 6.9809244e-10 8.275955399999999e-10 ] [ 6.876649203610001e-10 9.475838399999999e-10 9.7499984e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.786445 -0.253022 0.0674492 ] [ 0.7316827 0.1655625 1.0090267 ] [ 0.6382108 0.3394049 -0.5315941 ] [ -0.0113188 0.3020897 -0.119914 ] [ 0.5514143 0.521263 0.3369635 ] [ -0.9480185 -0.4757632 0.1501185 ] [ 0.7343316 -0.2867 0.5179056 ] [ 0.8330303 -0.2998336 0.1205947 ] [ -0.8306107 -1.0795374 -0.3535578 ] [ 0.7691473 0.0899289 -0.2558846 ] [ 0.2055733 0.207038 -0.5940281 ] [ 0.5089037 0.5366868 -0.9268313 ] [ -0.5540971 -0.5442053 1.6098382 ] [ 0.2968822 0.5918407 0.5637383 ] [ 0.6121934 -0.3554439 0.3788622 ] [ -1.223175 -0.2672016 0.2718412 ] [ -1.1910477 -0.2780367 0.7108378 ] [ 0.7163353 -1.0895212 -0.1433236 ] [ 0.1330926 -1.6292986 2.0205001 ] [ 1.3249442 2.4821895 0.2709694 ] [ -0.7842711 -0.2114779 0.0989439 ] [ -0.1912181 -0.0683022 -0.1388087 ] [ -1.1601942 0.6241778 -0.2304041 ] [ -0.2402325 0.2704432 0.227037 ] [ 1.0990783 -0.4524799 -0.4851942 ] [ 0.4526125 0.0381878 -0.3193039 ] [ -0.2614676 0.0388827 0.0268761 ] [ 0.4612984 1.4624656 -0.483565 ] [ 0.2882469 -0.3314236 -0.856476 ] [ 0.2565507 0.0493991 0.9194456 ] [ 0.1392188 0.4227166 -0.1995335 ] [ -0.1815944 -0.8748921 -0.5297521 ] [ 0.3379482 -0.5625307 0.0779694 ] [ -0.5100045 -0.6604696 0.2814289 ] [ -0.7027643 0.95014 0.3236096 ] [ 0.0588206 0.7052844 1.1906523 ] [ -0.2046692 0.3187673 -0.0972677 ] [ -0.0961031 0.046031 0.0677498 ] [ -0.1153475 -0.1431996 0.2913568 ] [ 0.2333284 -0.8342144 -1.1880881 ] [ 0.2912622 -0.1171621 -0.3022911 ] [ -0.4017516 0.1606371 -0.1413969 ] [ 0.6915018 -0.1007251 -0.2190036 ] [ 2.1423502 -1.4391109 -2.0604856 ] [ -2.2320422 1.8807217 0.7924086 ] [ -0.0543698 -0.1770543 -0.5398476 ] [ -0.2497186 0.1470793 -0.2444668 ] [ -1.3962436 -0.8922407 -1.1733835 ] [ -0.5812069 2.8961312 -0.0088958 ] [ 1.4512018 -0.5568211 -0.7431198 ] [ -1.244937 -0.8548819 -1.7349158 ] [ 0.4788408 1.0458832 0.1789544 ] [ 0.3985465 -1.3885613 -1.5473784 ] [ 0.0431073 -0.7332916 1.366936 ] [ -0.0902237 -0.3463457 1.2293866 ] [ -0.5867331 -1.0203402 0.1779598 ] [ -1.8234387 -1.1616211 0.3756217 ] [ 1.5479187 1.7224057 -0.8587044 ] [ -0.6343912 0.8656516 0.4207535 ] [ -0.5318164 -0.2022207 0.4581714 ] [ 0.6719721 -0.1142751 -0.099025 ] [ 0.5707055 1.5735171 0.5386848 ] [ 0.596085 0.1960353 1.6742614 ] [ -0.4468847 -0.8483564 -1.6204123 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.2600238029261298e-09 -4.0538593628794805e-10 1.080655322219928e-10 ] [ 1.1722849254420318e-09 2.65260368966625e-10 1.6166390018221277e-09 ] [ 1.0225264313264472e-09 5.437866002451066e-10 -8.517076457922593e-10 ] [ -1.81347168849192e-11 4.840010587120698e-10 -1.92123408889476e-10 ] [ 8.834631071134663e-10 8.351553987687421e-10 5.398750462108591e-10 ] [ -1.518893089299729e-09 -7.622566823570688e-10 2.40516353031129e-10 ] [ 1.1765289311278344e-09 -4.593440409678e-10 8.297762509377503e-10 ] [ 1.3346616820740103e-09 -4.803863880081023e-10 1.932140105242398e-10 ] [ -1.3307850554903838e-09 -1.7296095978091115e-09 -5.664620459284451e-10 ] [ 1.2323098321641881e-09 1.4408198230132262e-10 -4.0997232712043645e-10 ] [ 3.2936473783427216e-10 3.31711445950092e-10 -9.517379417594152e-10 ] [ 8.153536170961457e-10 8.598670507362312e-10 -1.4849474525198442e-09 ] [ -8.877614265871614e-10 -8.719130157589602e-10 2.5792451485606187e-09 ] [ 4.756577238905147e-10 9.482333405902038e-10 9.032083319508822e-10 ] [ 9.808419609690156e-10 -5.694839112778326e-10 6.070041643458348e-10 ] [ -1.95974240429295e-09 -4.2810416008741435e-10 4.355376187985208e-10 ] [ -1.908268794919442e-09 -4.4546390413446783e-10 1.1388877137239652e-09 ] [ 1.1476956797693803e-09 -1.745605408887641e-09 -2.296297230207624e-10 ] [ 2.1323785387830841e-10 -2.6104241467289125e-09 3.2371980492146633e-09 ] [ 2.122794638593823e-09 3.976906018060143e-09 4.3414084120899967e-10 ] [ -1.2565408311414775e-09 -3.388249499873886e-10 1.585256046568326e-10 ] [ -3.063651718178754e-10 -1.094321888907948e-10 -2.2239605573591582e-10 ] [ -1.8588360381423228e-09 1.0000430866215252e-09 -3.691480653977994e-10 ] [ -3.84894898227405e-10 4.332977758641888e-10 3.63753376453458e-10 ] [ 1.7609175711964422e-09 -7.249527231346565e-10 -7.773668101923228e-10 ] [ 7.25165171756325e-10 6.11836008638652e-11 -5.115812477250726e-10 ] [ -4.1891727926805845e-10 6.22969534068318e-11 4.30602594330474e-11 ] [ 7.390815177815856e-10 2.3431282123487906e-09 -7.747565440202101e-10 ] [ 4.6182244800293456e-10 -5.309991478761624e-10 -1.372225834781784e-09 ] [ 4.110395369763438e-10 7.91460837606294e-11 1.4731142565541104e-09 ] [ 2.230531083735192e-10 6.772666593239244e-10 -3.19687911400239e-10 ] [ -2.909463045452496e-10 -1.4017316798911913e-09 -8.487564364324313e-10 ] [ 5.414527095423588e-10 -9.012735434476639e-10 1.249207508469996e-10 ] [ -8.17117293134853e-10 -1.0581889605873263e-09 4.5089880771232256e-10 ] [ -1.1259525406693663e-09 1.52229210702876e-09 5.184797396580864e-10 ] [ 9.42409909178604e-11 1.1299901860047097e-09 1.907635294278358e-09 ] [ -3.279162099394728e-10 5.107215197432682e-10 -1.5584003618292179e-10 ] [ -1.539741412749654e-10 7.3749792639654e-11 1.085471465181732e-10 ] [ -1.84807069290315e-10 -2.2943105311814642e-10 4.668050571170113e-10 ] [ 3.738333105286056e-10 -1.3365588194263297e-09 -1.9035269929534554e-09 ] [ 4.666534912074349e-10 -1.8771437901037142e-10 -4.843237370861574e-10 ] [ -6.436770261921144e-10 2.573690081735214e-10 -2.2654280930003458e-10 ] [ 1.1079080263289413e-09 -1.613794016773134e-10 -3.508824506818824e-10 ] [ 3.432423432285227e-09 -2.3057098577147106e-09 -3.30126188301347e-09 ] [ -3.576125858941955e-09 3.013248362796758e-09 1.2695785435006525e-09 ] [ -8.711002315525321e-11 -2.836722624092262e-10 -8.649312106409784e-10 ] [ -4.000933059951924e-10 2.356470178050762e-10 -3.9167899474875124e-10 ] [ -2.2370288712920423e-09 -1.4295272014438037e-09 -1.879967626421139e-09 ] [ -9.311961146995745e-10 4.640113737638381e-09 -1.42526429007372e-11 ] [ 2.325081615178741e-09 -8.921257557381773e-10 -1.1906091798227531e-09 ] [ -1.994608972202058e-09 -1.3696718050095245e-09 -2.7796415567174173e-09 ] [ 7.671875411658672e-10 1.6756896249331488e-09 2.867165582314896e-10 ] [ 6.38541889862481e-10 -2.2247204697366645e-09 -2.4791735164363055e-09 ] [ 6.90655088148282e-11 -1.1748626674284745e-09 2.1900729193734238e-09 ] [ -1.445543039730258e-10 -5.549069878263738e-10 1.9696944846727046e-09 ] [ -9.400500632143853e-10 -1.6347652271708868e-09 2.851230333513132e-10 ] [ -2.921470878671336e-09 -1.8611221839813775e-09 6.018123109633578e-10 ] [ 2.480039172471656e-09 2.7595981668084135e-09 -1.3757961251929897e-09 ] [ -1.0164067574552209e-09 1.3869267667047144e-09 6.74121426373719e-10 ] [ -8.520638096579976e-10 -3.239932804511238e-10 7.340715114470676e-10 ] [ 1.0766179973199114e-09 -1.830888950680134e-10 -1.5865554118185e-10 ] [ 9.14371016995287e-10 2.521052330819441e-09 8.630681996509631e-10 ] [ 9.550334588778899e-10 3.140831770991802e-10 2.6824624942881274e-09 ] [ -7.159882244320999e-10 -1.3592168013843577e-09 -2.596186724506198e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -249.2679 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.993712049862486e-17 } }