{ "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" [ 10.6877953 0 0 ] "si-unit" "m" "si-value" [ 1.06877953e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6877953 0 ] "si-unit" "m" "si-value" [ 0.0 1.06877953e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6877953 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06877953e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.007058263386000005 0.8031381999999999 2.2115033 ] [ 3.11945242338 1.3971013 0.393443 ] [ 2.11500192973 5.0439453 2.1698053 ] [ 4.45308722264 3.1462513 1.2243663 ] [ 1.87692706394 1.4435593 3.4974843 ] [ 0.08847612183300001 4.7660713 3.3814403 ] [ 2.76126361945 2.9936663 5.0626193 ] [ 4.53226709065 3.3754113 3.5620533 ] [ 0.021047904482 0.6781796 6.9266403 ] [ 3.59505166079 1.1659943 6.317675299999999 ] [ 0.340338455936 2.8755493 7.578172299999999 ] [ 2.8260900621 4.8685313 6.537123299999999 ] [ 0.24426049068 1.4505293 10.6169153 ] [ 3.27814455052 1.3204363 8.6893353 ] [ 1.12854506263 3.4556943 9.6820863 ] [ 3.07771201419 4.5945573 8.865803300000001 ] [ 0.9158493536799999 6.3337883 0.6394626 ] [ 4.2629093074 6.295638299999999 1.8396963 ] [ 1.81603052748 8.753663300000001 2.4625073 ] [ 4.88849562634 10.5775653 0.5559244 ] [ 2.57020467787 6.8280563 3.5727213 ] [ 3.27959127246 10.2423653 3.5823463 ] [ 1.68430857325 7.954295299999999 7.7087553 ] [ 0.8518213897329999 6.1085103 6.4502963 ] [ 4.08448045043 6.4249583 5.3412323 ] [ 1.76146753769 10.6842853 5.404517299999999 ] [ 3.69962390157 8.382401300000001 6.5343463 ] [ 4.86834441088 10.0523953 5.3542023 ] [ 2.46768555909 6.7497723 9.586706300000001 ] [ 2.3377412827 9.8706923 8.975385300000001 ] [ 0.03856889392 10.3438153 9.0752023 ] [ 3.74592306247 8.6118033 10.3847153 ] [ 5.05179612609 8.254855300000001 8.4511553 ] [ 6.20842189427 1.6293003 1.4708753 ] [ 8.050522403 0.2672263 1.0719303 ] [ 5.96456127048 4.9109563 0.6486949999999999 ] [ 9.08651236823 4.5584783 1.7388713 ] [ 6.241491981899999 1.8178373 3.8681053 ] [ 9.438472945820001 1.8292863 3.8708943 ] [ 7.86834428443 3.4683553 3.4660743 ] [ 6.974440813239999 2.1542283 6.2041023 ] [ 8.67920912912 0.5853815 5.6897283 ] [ 8.17223394306 4.173568299999999 5.7041073 ] [ 10.5335269168 4.140786299999999 5.687788299999999 ] [ 5.483588013589999 0.646353 9.091636300000001 ] [ 6.84519036372 2.4839503 8.6017303 ] [ 8.62589645289 1.8122103 10.0952953 ] [ 5.42716538026 4.3472113 9.1360323 ] [ 10.0656165853 4.9115733 10.2929553 ] [ 8.37856976011 6.848708299999999 1.9714573 ] [ 10.3563252767 8.2636413 1.4021563 ] [ 6.14761193923 7.597736299999999 2.7698193 ] [ 5.484905246949999 5.5246723 3.7290193 ] [ 9.590782716720001 6.6864593 4.0412533 ] [ 6.68776652178 8.524481300000001 4.8296323 ] [ 8.398376339810001 9.7746273 3.8896303 ] [ 10.5261422107 8.7565843 3.7737253 ] [ 7.83027557682 6.5545363 5.5489903 ] [ 8.124443082840001 7.7273913 7.5657893 ] [ 6.79847810203 9.741874300000001 7.8763713 ] [ 6.36544731323 6.3547593 8.3488593 ] [ 7.08465700892 6.8851163 10.5216253 ] [ 9.16846808162 6.9060213 9.4679213 ] [ 8.412207612640001 10.1715053 9.599319300000001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.058263386000005e-13 8.031382e-11 2.2115033e-10 ] [ 3.11945242338e-10 1.3971013e-10 3.93443e-11 ] [ 2.1150019297300002e-10 5.0439453e-10 2.1698053000000002e-10 ] [ 4.45308722264e-10 3.1462513e-10 1.2243663e-10 ] [ 1.87692706394e-10 1.4435593e-10 3.4974843e-10 ] [ 8.8476121833e-12 4.7660713e-10 3.3814403e-10 ] [ 2.7612636194500005e-10 2.9936663e-10 5.0626193e-10 ] [ 4.5322670906500004e-10 3.3754113e-10 3.5620533000000003e-10 ] [ 2.1047904482000003e-12 6.781796e-11 6.9266403e-10 ] [ 3.59505166079e-10 1.1659942999999998e-10 6.317675299999999e-10 ] [ 3.40338455936e-11 2.8755493e-10 7.578172299999999e-10 ] [ 2.8260900621e-10 4.8685313e-10 6.537123299999999e-10 ] [ 2.4426049068e-11 1.4505293e-10 1.06169153e-09 ] [ 3.27814455052e-10 1.3204363e-10 8.6893353e-10 ] [ 1.12854506263e-10 3.4556943e-10 9.6820863e-10 ] [ 3.07771201419e-10 4.5945573e-10 8.865803300000002e-10 ] [ 9.1584935368e-11 6.3337883e-10 6.394626e-11 ] [ 4.2629093074000006e-10 6.295638299999999e-10 1.8396963e-10 ] [ 1.81603052748e-10 8.753663300000001e-10 2.4625073e-10 ] [ 4.88849562634e-10 1.05775653e-09 5.559244e-11 ] [ 2.57020467787e-10 6.8280563e-10 3.5727213e-10 ] [ 3.27959127246e-10 1.02423653e-09 3.5823463e-10 ] [ 1.6843085732500002e-10 7.9542953e-10 7.708755300000001e-10 ] [ 8.518213897329999e-11 6.108510300000001e-10 6.4502963e-10 ] [ 4.08448045043e-10 6.4249583e-10 5.3412323e-10 ] [ 1.76146753769e-10 1.06842853e-09 5.4045173e-10 ] [ 3.69962390157e-10 8.382401300000002e-10 6.5343463e-10 ] [ 4.86834441088e-10 1.0052395300000001e-09 5.3542023e-10 ] [ 2.46768555909e-10 6.7497723e-10 9.5867063e-10 ] [ 2.3377412827000004e-10 9.8706923e-10 8.975385300000002e-10 ] [ 3.8568893920000004e-12 1.0343815299999999e-09 9.075202300000001e-10 ] [ 3.7459230624700003e-10 8.6118033e-10 1.03847153e-09 ] [ 5.051796126090001e-10 8.254855300000002e-10 8.4511553e-10 ] [ 6.20842189427e-10 1.6293003e-10 1.4708753000000001e-10 ] [ 8.050522403000001e-10 2.6722630000000005e-11 1.0719303e-10 ] [ 5.96456127048e-10 4.9109563e-10 6.486949999999999e-11 ] [ 9.086512368230001e-10 4.5584783000000003e-10 1.7388713000000002e-10 ] [ 6.2414919819e-10 1.8178373e-10 3.8681053e-10 ] [ 9.43847294582e-10 1.8292863e-10 3.8708943e-10 ] [ 7.86834428443e-10 3.4683553e-10 3.4660743e-10 ] [ 6.97444081324e-10 2.1542283000000004e-10 6.2041023e-10 ] [ 8.679209129120001e-10 5.853815e-11 5.689728299999999e-10 ] [ 8.17223394306e-10 4.173568299999999e-10 5.7041073e-10 ] [ 1.05335269168e-09 4.1407862999999993e-10 5.687788299999999e-10 ] [ 5.483588013589998e-10 6.46353e-11 9.091636300000001e-10 ] [ 6.84519036372e-10 2.4839503000000003e-10 8.6017303e-10 ] [ 8.62589645289e-10 1.8122103e-10 1.0095295300000001e-09 ] [ 5.42716538026e-10 4.3472113e-10 9.1360323e-10 ] [ 1.0065616585300002e-09 4.9115733e-10 1.0292955299999999e-09 ] [ 8.378569760110001e-10 6.848708299999999e-10 1.9714573000000002e-10 ] [ 1.03563252767e-09 8.2636413e-10 1.4021563e-10 ] [ 6.14761193923e-10 7.5977363e-10 2.7698193e-10 ] [ 5.484905246949999e-10 5.5246723e-10 3.7290193000000004e-10 ] [ 9.590782716720001e-10 6.6864593e-10 4.0412533e-10 ] [ 6.687766521780001e-10 8.524481300000001e-10 4.829632300000001e-10 ] [ 8.398376339810002e-10 9.7746273e-10 3.8896303e-10 ] [ 1.05261422107e-09 8.756584300000001e-10 3.7737253e-10 ] [ 7.830275576820001e-10 6.5545363e-10 5.5489903e-10 ] [ 8.124443082840001e-10 7.7273913e-10 7.5657893e-10 ] [ 6.79847810203e-10 9.7418743e-10 7.8763713e-10 ] [ 6.36544731323e-10 6.3547593e-10 8.348859300000001e-10 ] [ 7.08465700892e-10 6.885116300000001e-10 1.0521625300000001e-09 ] [ 9.168468081620001e-10 6.906021300000001e-10 9.467921300000002e-10 ] [ 8.412207612640002e-10 1.01715053e-09 9.599319300000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.0011659 -0.0001133 -0.0002821 ] [ 0.0002872 0.0001803 -0.0001294 ] [ 8.95e-05 -0.0003586 -0.0001317 ] [ 0.0003637 -9.36e-05 5.51e-05 ] [ -0.000136 -0.0001355 9.14e-05 ] [ -0.0003468 -0.0004865 0.0002353 ] [ -0.0002851 -6.57e-05 0.000107 ] [ -0.0001533 -3.99e-05 3.67e-05 ] [ 6.83e-05 -0.0001773 2.79e-05 ] [ -4.41e-05 -9.9e-05 7.87e-05 ] [ 0.0027225 -0.0003397 -0.0011292 ] [ -3.19e-05 -0.0001478 8.31e-05 ] [ -0.0003546 0.0003583 0.0002787 ] [ 6.8e-05 5.8e-06 -4.63e-05 ] [ -0.0001421 0.0002375 -0.0003691 ] [ -2.83e-05 0.0004227 0.0001995 ] [ -0.0003275 -0.0004019 -0.0003226 ] [ -0.0001458 -2.79e-05 -3.29e-05 ] [ -1.8e-06 4.54e-05 -0.0002073 ] [ -0.0003863 0.0003246 5.83e-05 ] [ -0.0002691 -0.000234 -0.0001742 ] [ -0.0002529 -0.0002296 -0.0002529 ] [ -0.0001828 0.0002009 -0.0002035 ] [ 0.0001577 0.0001084 1.54e-05 ] [ -0.0003504 7.93e-05 -0.0001853 ] [ -0.000398 -0.0002662 3.1e-06 ] [ 0.0001011 -0.0001132 -6.64e-05 ] [ 0.0001766 -4.01e-05 -0.0001267 ] [ -0.0004226 -0.0006312 0.0002428 ] [ 2.21e-05 0.0012136 2.29e-05 ] [ 0.0001478 0.0004245 0.0003243 ] [ 1.98e-05 0.0001304 0.0002439 ] [ 0.0002222 0.0002291 7.45e-05 ] [ -0.0003308 -0.0001273 0.0006138 ] [ 0.0009481 -0.0008992 0.001215 ] [ 3.57e-05 0.0001525 -5.5e-05 ] [ 0.0001403 -0.0004393 0.0004751 ] [ -0.0003348 -6.07e-05 0.0004595 ] [ -0.0004909 -0.0010918 0.0002536 ] [ 0.0008167 0.0009292 -0.0005885 ] [ -0.0002378 -0.0002216 0.0010362 ] [ 5.96e-05 0.0002476 0.0002204 ] [ -0.0001041 0.0001788 0.0004055 ] [ -6.92e-05 0.000238 0.0001686 ] [ -1.74e-05 -0.0001811 0.000176 ] [ -1.38e-05 9.19e-05 0.0001204 ] [ -3.08e-05 2.7e-06 0.0001385 ] [ -2.57e-05 6.7e-05 0.000164 ] [ -0.0001734 -8.03e-05 -0.0002052 ] [ 0.000104 -0.0003565 -5.7e-05 ] [ -8.45e-05 -0.0002589 -0.0001909 ] [ 3.69e-05 -0.0001893 -0.0002577 ] [ -0.00055 0.0002367 3.02e-05 ] [ 0.0001777 -0.0002886 -0.0002484 ] [ -0.0002524 -0.0001322 -0.0001245 ] [ 0.0006074 0.0017538 -0.0007558 ] [ 0.0002278 5e-07 -0.0002838 ] [ -5.66e-05 0.00012 5.98e-05 ] [ -0.0001867 1e-07 -0.0004835 ] [ -0.0002358 6.82e-05 -8.73e-05 ] [ 0.0002008 6.41e-05 -0.0001786 ] [ 0.0003379 -3.75e-05 -0.0001917 ] [ 0.0003158 -9.67e-05 -0.0002871 ] [ 0.000165 0.0003499 -6.08e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.8679777375806002e-12 -1.815266126322e-13 -4.5197402845140004e-13 ] [ 4.601451292847999e-13 2.888724471102e-13 -2.073216564396e-13 ] [ 1.43394808743e-13 -5.745405409523999e-13 -2.110066626978e-13 ] [ 5.827116417858e-13 -1.499637329424e-13 8.827993253339999e-14 ] [ -2.17896022224e-13 -2.1709493390699998e-13 1.464389443476e-13 ] [ -5.556348566712e-13 -7.79458932441e-13 3.769921619802e-13 ] [ -4.567805583534e-13 -1.052630048538e-13 1.71432899838e-13 ] [ -2.456136779922e-13 -6.39268476966e-14 5.879988246779999e-14 ] [ 1.094286641022e-13 -2.840659172082e-13 4.47007280886e-14 ] [ -7.065598955940001e-14 -1.58615486766e-13 1.260913010958e-13 ] [ 4.361925886065e-12 -5.442594025698001e-13 -1.8091778551127999e-12 ] [ -5.1109434624600006e-14 -2.368017065052e-13 1.331408782854e-13 ] [ -5.681318344164e-13 5.740598879622e-13 4.4652662789579997e-13 ] [ 1.08948011112e-13 9.292624477200001e-15 -7.41807781542e-14 ] [ -2.276692996914e-13 3.80516950575e-13 -5.913633956094001e-13 ] [ -4.53415987422e-14 6.772400631918e-13 3.19634238483e-13 ] [ -5.24712847635e-13 -6.439147892046e-13 -5.168621821284e-13 ] [ -2.3359735323719997e-13 -4.47007280886e-14 -5.27116112586e-14 ] [ -2.8839179412e-15 7.27388191836e-14 -3.321312162282e-13 ] [ -6.189208337142001e-13 5.200665353964e-13 9.340689776220001e-14 ] [ -4.3114573220939996e-13 -3.74909332356e-13 -2.790991696428e-13 ] [ -4.0519047073860003e-13 -3.678597551664e-13 -4.0519047073860003e-13 ] [ -2.928778886952e-13 3.218772857706e-13 -3.26042945019e-13 ] [ 2.526632551818e-13 1.736759471256e-13 2.4673520163600002e-14 ] [ -5.614026925536e-13 1.2705260707620002e-13 -2.968833302802e-13 ] [ -6.376663003320001e-13 -4.264994199708e-13 4.9667475654e-15 ] [ 1.619800576974e-13 -1.813663949688e-13 -1.0638452849760001e-13 ] [ 2.829443935644e-13 -6.42472830234e-14 -2.0299577952779997e-13 ] [ -6.770798455284e-13 -1.0112938913807999e-12 3.890084867352e-13 ] [ 3.54081036114e-14 1.9444015630224e-12 3.66898449186e-14 ] [ 2.368017065052e-13 6.80123981133e-13 5.195858824062e-13 ] [ 3.17230973532e-14 2.089238330736e-13 3.907708810326e-13 ] [ 3.560036480748e-13 3.670586668494e-13 1.1936215923299998e-13 ] [ -5.300000305272e-13 -2.039570855082e-13 9.834160179491999e-13 ] [ 1.5190236666954001e-12 -1.4406772292927999e-12 1.94664461031e-12 ] [ 5.71977058338e-14 2.44331936685e-13 -8.811971487e-14 ] [ 2.247853817502e-13 -7.038361953162e-13 7.611941188134e-13 ] [ -5.364087370632e-13 -9.72521216838e-14 7.36200163323e-13 ] [ -7.865085096305999e-13 -1.7492564490012e-12 4.063119943824e-13 ] [ 1.3084976569877999e-12 1.4887425283128e-12 -9.428809491090001e-13 ] [ -3.809976035652e-13 -3.550423420944e-13 1.6601754281508e-12 ] [ 9.54897273864e-14 3.966989345784e-13 3.5311973013359997e-13 ] [ -1.667865875994e-13 2.864691821592e-13 6.49682625087e-13 ] [ -1.108706230728e-13 3.8131803889200004e-13 2.701269804924e-13 ] [ -2.78778734316e-14 -2.901541884174e-13 2.8198308758399997e-13 ] [ -2.21100375492e-14 1.472400326646e-13 1.929020667336e-13 ] [ -4.9347040327200005e-14 4.3258769118e-15 2.2190146380900002e-13 ] [ -4.1175939493800004e-14 1.07345834478e-13 2.62756967976e-13 ] [ -2.778174283356e-13 -1.286547837102e-13 -3.287666452968e-13 ] [ 1.6662636993599998e-13 -5.71175970021e-13 -9.1324068138e-14 ] [ -1.3538392557299998e-13 -4.148035305426e-13 -3.058555194306e-13 ] [ 5.91203177946e-14 -3.032920368162e-13 -4.1288091858179994e-13 ] [ -8.811971487e-13 3.792352092678e-13 4.83857343468e-14 ] [ 2.847067878618e-13 -4.623881765724e-13 -3.979806758856e-13 ] [ -4.043893824216e-13 -2.1180775101479998e-13 -1.9947099093299997e-13 ] [ 9.731620874916e-13 2.8098973807092e-12 -1.2109250999772e-12 ] [ 3.6497583722520003e-13 8.010883169999999e-16 -4.546977287292e-13 ] [ -9.06831974844e-14 1.9226119608e-13 9.58101627132e-14 ] [ -2.9912637756780004e-13 1.602176634e-16 -7.74652402539e-13 ] [ -3.7779325029720003e-13 1.092684464388e-13 -1.398700201482e-13 ] [ 3.2171706810720003e-13 1.026995222394e-13 -2.8614874683240003e-13 ] [ 5.413754846286e-13 -6.0081623775e-14 -3.071372607378e-13 ] [ 5.059673810172e-13 -1.549304805078e-13 -4.599849116213999e-13 ] [ 2.6435914461e-13 5.606016042366e-13 -9.74123393472e-14 ] ] } "unrelaxed-potential-energy" { "source-value" -282.60919 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.527898407716665e-17 } }