{ "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" [ [ -0.4776641 -0.8068161 -0.5381566 ] [ 1.5081356 0.0621027 2.6105802 ] [ 0.8934556 1.3911552 -1.0857996 ] [ -0.8136788 0.5920201 0.4157638 ] [ 0.9427828 1.2627857 0.4333928 ] [ -1.5244276 -0.0546126 -0.5022399 ] [ 0.7695468 -0.9044143 -0.1618514 ] [ 1.730642 -1.0081569 -0.46407 ] [ -0.9251778 -1.7252252 -0.5856557 ] [ 2.6840161 -0.5046716 -4.3819792 ] [ -0.7896573 2.5304639 -1.4800681 ] [ -0.7732862 -0.1128944 0.1668539 ] [ -0.8919825 1.70761 3.719339 ] [ 0.7840524 -0.2059512 -1.9826354 ] [ -0.9212767 -0.0329225 1.3458928 ] [ -1.1674191 1.1943546 1.019934 ] [ -2.6656615 -2.7584356 2.4984968 ] [ 1.9302904 -1.7418999 -0.5900479 ] [ -0.9743105 -7.2335187 5.1183819 ] [ 2.2564016 4.7371406 1.7607549 ] [ -1.4291462 0.9629667 0.265243 ] [ -0.5546527 -1.0713533 -0.6581364 ] [ -1.214366 1.109516 -0.0249575 ] [ 0.895557 0.6407999 0.1868621 ] [ 1.3099621 -0.7852089 -0.141003 ] [ 1.033548 -0.0074813 0.4061857 ] [ 0.6465442 -3.0808162 1.4880253 ] [ 2.1541015 1.5670006 -1.6139212 ] [ -0.0294349 -0.0758787 -1.5635853 ] [ 0.4527726 0.7163025 0.0413289 ] [ -0.6141236 0.9527791 -1.8495427 ] [ 0.4347105 -1.1370704 0.3102369 ] [ 0.6722903 -1.1490331 0.1316171 ] [ -2.1872172 -2.3669854 0.8740034 ] [ -0.6599799 0.4528698 0.9847408 ] [ 0.6468538 4.1911773 5.1442522 ] [ -0.3197831 0.5327993 0.1144985 ] [ -0.5049198 0.632243 -1.6883137 ] [ -1.1494021 -0.2979501 0.4068037 ] [ 0.6283104 -0.6234756 -0.5673913 ] [ 0.2077961 -0.3931681 -0.00032 ] [ 0.985694 0.4298443 -0.6417676 ] [ 1.5703831 -0.2433158 3.2494481 ] [ 2.2829307 0.7792777 -5.3773649 ] [ -3.3853654 1.3347525 0.3879197 ] [ -0.8997597 -2.064515 -2.2680618 ] [ 1.2305783 -0.3462263 -0.3803162 ] [ -1.6499681 -3.7120017 -2.3008267 ] [ -0.6933922 7.9304434 1.5439358 ] [ 3.4949805 -6.8400911 -2.5335595 ] [ -3.7367494 2.7652882 -5.929343 ] [ 0.3174505 1.3835241 -0.2464867 ] [ 1.2974634 -1.0640469 -5.3247793 ] [ 0.1379499 -0.4741894 3.4733447 ] [ -0.4562498 -0.8129063 2.2463767 ] [ -1.4627939 -1.3848352 0.2387839 ] [ -6.1445515 -2.6363324 0.0676184 ] [ 8.2086527 2.7028848 -0.4368525 ] [ -0.3111866 1.1487145 1.5867512 ] [ -1.7344978 0.139062 -1.4997376 ] [ -0.6356548 0.2599653 -0.6402432 ] [ 1.5918761 3.7197363 3.4408308 ] [ 0.3558887 -0.5011707 5.111121 ] [ -2.357881 0.3279908 -3.3303042 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.653022599206393e-10 -1.2926619033550075e-09 -8.622219299528844e-10 ] [ 2.4162996192235702e-09 9.949949484831179e-11 4.182610597623046e-09 ] [ 1.4314736858364504e-09 2.228876355707597e-09 -1.7396427483265465e-09 ] [ -1.3036571609411593e-09 9.485207710783435e-10 6.661270456230492e-10 ] [ 1.5105045730970953e-09 2.0232057422893337e-09 6.943718175038353e-10 ] [ -2.4424022809446986e-09 -8.749903164198839e-11 -8.046770324424965e-10 ] [ 1.2329499017294712e-09 -1.4490314589154661e-09 -2.593145312601876e-10 ] [ 2.772794174219028e-09 -1.6152454285858745e-09 -7.4352211054038e-10 ] [ -1.4822982534555253e-09 -2.7641155038279768e-09 -9.383238781089138e-10 ] [ 4.300267880699807e-09 -8.085730453633943e-10 -7.020704684914013e-09 ] [ -1.2651704749275283e-09 4.054250133760513e-09 -2.3713305265487754e-09 ] [ -1.2389410810346509e-09 -1.808767697894496e-10 2.673294198717726e-10 ] [ -1.429113519436905e-09 2.73589284198474e-09 5.9590380397249266e-09 ] [ 1.2561904351116216e-09 -3.299702003842608e-10 -3.1765321116212435e-09 ] [ -1.4760480021886277e-09 -5.2747660232865e-11 2.156357996028835e-09 ] [ -1.8704116041053094e-09 1.9135670328304163e-09 1.6341144230221558e-09 ] [ -4.270860569453391e-09 -4.41950106471377e-09 4.003033193083771e-09 ] [ 3.092666175714514e-09 -2.7908313185469365e-09 -9.453609583207686e-10 ] [ -1.5610175173608569e-09 -1.1589374642742056e-08 8.200551884068524e-09 ] [ 3.615153920440214e-09 7.58973598129274e-09 2.8210403589810065e-09 ] [ -2.289744648209891e-09 1.5428427460600877e-09 4.24966136932062e-10 ] [ -8.886515959250118e-10 -1.7164972240187921e-09 -1.0544507620648776e-09 ] [ -1.9456288303240443e-09 1.777640610249144e-09 -3.9986323343055e-11 ] [ 1.434840499815138e-09 1.0266746268495365e-09 2.993860904001714e-10 ] [ 2.0987906680455714e-09 -1.2580433523888426e-09 -2.2591171192390197e-10 ] [ 1.6559264557174319e-09 -1.19863640519442e-11 6.507812376049337e-10 ] [ 1.035878010088223e-09 -4.936011729288671e-09 2.3840793664608405e-09 ] [ 3.4512510905643507e-09 2.5106117467839805e-09 -2.585786835757241e-09 ] [ -4.71599090041266e-11 -1.215710801582958e-10 -2.5051398329258803e-09 ] [ 7.254216802354284e-10 1.147643128375785e-09 6.62161978889226e-11 ] [ -9.839344823079624e-10 1.5265204113835493e-09 -2.9632940975252717e-09 ] [ 6.96483005654457e-10 -1.8217876260930336e-09 4.970543121845946e-10 ] [ 1.0771278099248502e-09 -1.8409539845125855e-09 2.1087384225484137e-10 ] [ -3.504308291322905e-09 -3.7923287008991435e-09 1.4003078255165555e-09 ] [ -1.0574043746896566e-09 7.255774118042532e-10 1.5777287003064672e-09 ] [ 1.0363740439741092e-09 6.715006339011208e-09 8.242000674243095e-09 ] [ -5.123490107680854e-10 8.536385890715561e-10 1.8344682132804902e-10 ] [ -8.089707056039533e-10 1.012964961610062e-09 -2.704976761002086e-09 ] [ -1.8415451876905316e-09 -4.773686883179634e-10 6.517713827647458e-10 ] [ 1.0066642417791937e-09 -9.989180381891305e-10 -9.090610831948843e-10 ] [ 3.3292605605632744e-10 -6.299247430541755e-10 -5.1269652288e-13 ] [ 1.5792558950739959e-09 6.886864937180862e-10 -1.0282250531782584e-09 ] [ 2.516031109248485e-09 -3.898348894430172e-10 5.206189819215696e-09 ] [ 3.657658224581264e-09 1.2485405223372616e-09 -8.615488395271746e-09 ] [ -5.4239533414320635e-09 2.138509267673085e-09 6.215158792082898e-10 ] [ -1.4415739675548499e-09 -3.3077176935425102e-09 -3.633835620427981e-09 ] [ 1.971603798567442e-09 -5.547156879362742e-10 -6.093337291716708e-10 ] [ -2.6435403366653752e-09 -5.947282389108278e-09 -3.686330777623328e-09 ] [ -1.1109367810378548e-09 1.2705971112739515e-08 2.473657863156097e-09 ] [ 5.599576093385637e-09 -1.0959034134851358e-08 -4.059209831748723e-09 ] [ -5.986932575793519e-09 4.430480140315919e-09 -9.499854809571463e-09 ] [ 5.08611773551617e-10 2.2166499855958794e-09 -3.949152313317678e-10 ] [ 2.0787655429501957e-09 -1.7047910806601345e-09 -8.531236975666877e-09 ] [ 2.2102010644263657e-10 -7.597351767704796e-10 5.56491172016774e-09 ] [ -7.309927688271732e-10 -1.3024194794913942e-09 3.5990922599020274e-09 ] [ -2.343654206937733e-09 -2.2187505993807166e-09 3.8257398515539257e-10 ] [ -9.844656839709652e-09 -4.223870170737142e-09 1.083366205084656e-10 ] [ 1.3151711552561012e-08 4.330498870953764e-09 -6.99914868004485e-10 ] [ -4.985758993339043e-10 1.8404435310369932e-09 2.5422556966114606e-09 ] [ -2.7789718468844053e-09 2.22801887077308e-10 -2.4028445398512385e-09 ] [ -1.0184312678499432e-09 4.165103293108002e-10 -1.0257826951173888e-09 ] [ 2.550466691643047e-09 5.959674584501615e-09 5.512818709307528e-09 ] [ 5.701965594446358e-10 -8.029639851854238e-10 8.188918639746714e-09 ] [ -3.777741843952554e-09 5.254991959269673e-10 -5.335735573352063e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -242.4931 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.885167787262254e-17 } }