{ "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" [ 10.7458163 0 0 ] "si-unit" "m" "si-value" [ 1.07458163e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7458163 0 ] "si-unit" "m" "si-value" [ 0.0 1.07458163e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7458163 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07458163e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.63039228442 2.6485433 2.3817393 ] [ 4.6984514364 2.0602883 0.3632915 ] [ 0.10428263252 3.7024723 0.6365344000000001 ] [ 2.26497214104 4.3373503 1.3896073 ] [ 0.432178958826 0.3467347 4.1902713 ] [ 2.34943552441 0.7078505 2.8475953 ] [ 1.944810064 3.0032843 5.1249333 ] [ 0.14166964785 3.8126313 3.8562603 ] [ 3.53047778706 4.3272873 3.9955753 ] [ 5.29282818944 3.4576103 5.2011923 ] [ 1.44399030003 0.9382018000000001 6.2299933 ] [ 4.85691426034 0.9936423 7.8140553 ] [ 3.61345836968 0.0430865 6.0798273 ] [ 1.72064122524 4.6080453 6.8217153 ] [ 5.18750024508 5.2008393 6.7618483 ] [ 0.9362983716900001 0.9676873 8.620056300000002 ] [ 2.74943117208 0.9728223000000001 10.2159763 ] [ 5.36765395045 3.7555163 9.5952353 ] [ 3.52768751484 4.5544333 8.332078300000001 ] [ 2.11157193762 7.8703653 2.0705083 ] [ 3.39853456462 6.3443863 0.7409701000000001 ] [ 2.01642854522 10.0669763 1.0022873 ] [ 1.03691108303 5.7863633 2.8237423 ] [ 0.594501663127 8.8077483 3.7058963 ] [ 4.21693933299 10.4111663 3.8279043 ] [ 3.92115738063 8.0974743 3.6241043 ] [ 1.99897368219 6.9541823 6.8661303 ] [ 0.05399985125199999 7.5134603 5.6338943 ] [ 5.15988426156 7.2518153 5.4747793 ] [ 3.73582100213 8.552062300000001 6.7599573 ] [ 0.540970309666 7.0176613 8.803051300000002 ] [ 2.89973847863 6.6789703 9.174192300000001 ] [ 4.89646859585 7.9527013 8.7021203 ] [ 4.30583526728 10.1130463 9.477583300000001 ] [ 7.84168312081 2.6966873 2.2543023 ] [ 6.02886849515 0.104893 0.2117531 ] [ 10.1285674978 2.3011743 2.3009653 ] [ 8.066494867480001 5.1844903 1.9420573 ] [ 7.73801655118 1.0806073 4.0161663 ] [ 7.15007526626 4.2086723 3.9459893 ] [ 9.019207111910001 3.8868193 5.2787383 ] [ 6.44695815021 1.5118583 6.0015583 ] [ 8.38036936764 2.4231813 7.0134143 ] [ 7.06999671548 4.2413483 7.9547283 ] [ 10.4469038569 5.0246153 7.8960023 ] [ 7.89557313072 0.439383 9.472140300000001 ] [ 8.365633612100002 2.7359463 9.3626413 ] [ 10.6689504885 3.0376633 9.145142300000002 ] [ 5.90675851139 8.096836300000001 2.4096163 ] [ 6.3948298781 5.3712863 0.2308239 ] [ 5.40521207524 7.4696243 0.2258559 ] [ 10.1873685741 5.8828213 1.1240493 ] [ 6.33062838843 10.4216663 2.6369273 ] [ 9.570826217150001 8.518025300000001 2.1835613 ] [ 10.4445247054 10.4368063 1.0591543 ] [ 7.88842304849 7.2200513 3.2928043 ] [ 8.247550902310001 9.489265300000001 4.0459903 ] [ 8.13043379956 7.5664853 7.6916833 ] [ 9.10033604674 6.0173143 6.2341493 ] [ 6.96691004229 8.6919243 5.9605783 ] [ 6.78446260319 10.4535363 7.5206113 ] [ 10.1776499462 8.7066633 7.5881043 ] [ 7.98100523705 5.9216803 9.376565300000001 ] [ 10.0615685932 10.1980863 9.479536300000001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.63039228442e-10 2.6485433000000003e-10 2.3817393e-10 ] [ 4.698451436400001e-10 2.0602883e-10 3.632915e-11 ] [ 1.0428263252e-11 3.7024723e-10 6.365344e-11 ] [ 2.26497214104e-10 4.3373503e-10 1.3896073e-10 ] [ 4.32178958826e-11 3.467347e-11 4.1902713000000004e-10 ] [ 2.34943552441e-10 7.078505000000001e-11 2.8475953000000003e-10 ] [ 1.944810064e-10 3.0032842999999997e-10 5.124933300000001e-10 ] [ 1.4166964785000001e-11 3.8126313e-10 3.8562603000000004e-10 ] [ 3.5304777870600003e-10 4.3272873000000004e-10 3.9955753e-10 ] [ 5.29282818944e-10 3.4576103e-10 5.2011923e-10 ] [ 1.44399030003e-10 9.382018e-11 6.2299933e-10 ] [ 4.85691426034e-10 9.936423e-11 7.8140553e-10 ] [ 3.61345836968e-10 4.30865e-12 6.0798273e-10 ] [ 1.72064122524e-10 4.6080452999999997e-10 6.8217153e-10 ] [ 5.18750024508e-10 5.200839300000001e-10 6.761848299999999e-10 ] [ 9.362983716900001e-11 9.676873000000001e-11 8.620056300000002e-10 ] [ 2.74943117208e-10 9.728223000000002e-11 1.02159763e-09 ] [ 5.36765395045e-10 3.7555163000000003e-10 9.5952353e-10 ] [ 3.5276875148400005e-10 4.5544333000000003e-10 8.332078300000001e-10 ] [ 2.11157193762e-10 7.8703653e-10 2.0705083000000003e-10 ] [ 3.39853456462e-10 6.3443863e-10 7.409701000000001e-11 ] [ 2.0164285452200002e-10 1.00669763e-09 1.0022873000000002e-10 ] [ 1.0369110830299999e-10 5.7863633e-10 2.8237423e-10 ] [ 5.945016631270001e-11 8.807748300000001e-10 3.7058963e-10 ] [ 4.2169393329900003e-10 1.04111663e-09 3.8279043000000003e-10 ] [ 3.9211573806300003e-10 8.0974743e-10 3.6241043e-10 ] [ 1.99897368219e-10 6.9541823e-10 6.8661303e-10 ] [ 5.399985125199999e-12 7.513460300000001e-10 5.6338943e-10 ] [ 5.15988426156e-10 7.2518153e-10 5.4747793e-10 ] [ 3.73582100213e-10 8.552062300000001e-10 6.7599573e-10 ] [ 5.40970309666e-11 7.017661300000001e-10 8.803051300000002e-10 ] [ 2.89973847863e-10 6.678970299999999e-10 9.174192300000002e-10 ] [ 4.89646859585e-10 7.9527013e-10 8.702120300000001e-10 ] [ 4.30583526728e-10 1.0113046300000002e-09 9.4775833e-10 ] [ 7.84168312081e-10 2.6966873e-10 2.2543023e-10 ] [ 6.02886849515e-10 1.04893e-11 2.1175310000000002e-11 ] [ 1.01285674978e-09 2.3011743e-10 2.3009653e-10 ] [ 8.066494867480001e-10 5.1844903e-10 1.9420573000000002e-10 ] [ 7.738016551180001e-10 1.0806073000000001e-10 4.0161663000000004e-10 ] [ 7.15007526626e-10 4.2086723000000003e-10 3.9459893e-10 ] [ 9.019207111910002e-10 3.8868193e-10 5.2787383e-10 ] [ 6.446958150210001e-10 1.5118583e-10 6.001558300000001e-10 ] [ 8.38036936764e-10 2.4231813e-10 7.0134143e-10 ] [ 7.069996715480001e-10 4.2413483e-10 7.9547283e-10 ] [ 1.0446903856900001e-09 5.0246153e-10 7.8960023e-10 ] [ 7.89557313072e-10 4.3938300000000006e-11 9.472140300000003e-10 ] [ 8.365633612100002e-10 2.7359463000000003e-10 9.3626413e-10 ] [ 1.0668950488500001e-09 3.0376633e-10 9.145142300000002e-10 ] [ 5.90675851139e-10 8.096836300000002e-10 2.4096163000000004e-10 ] [ 6.394829878100001e-10 5.371286300000001e-10 2.308239e-11 ] [ 5.40521207524e-10 7.4696243e-10 2.258559e-11 ] [ 1.0187368574100001e-09 5.8828213e-10 1.1240493000000001e-10 ] [ 6.330628388430001e-10 1.04216663e-09 2.6369273e-10 ] [ 9.570826217150002e-10 8.518025300000002e-10 2.1835613e-10 ] [ 1.04445247054e-09 1.0436806300000002e-09 1.0591543000000002e-10 ] [ 7.88842304849e-10 7.2200513e-10 3.2928043e-10 ] [ 8.247550902310001e-10 9.489265300000002e-10 4.0459903e-10 ] [ 8.130433799560001e-10 7.5664853e-10 7.6916833e-10 ] [ 9.100336046740001e-10 6.0173143e-10 6.234149300000001e-10 ] [ 6.966910042290001e-10 8.6919243e-10 5.960578300000001e-10 ] [ 6.78446260319e-10 1.04535363e-09 7.5206113e-10 ] [ 1.01776499462e-09 8.706663300000001e-10 7.5881043e-10 ] [ 7.98100523705e-10 5.9216803e-10 9.3765653e-10 ] [ 1.00615685932e-09 1.0198086300000001e-09 9.4795363e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.4537731 1.8840761 0.1791524 ] [ 1.9737362 -0.952386 2.1397255 ] [ 3.3204281 -1.219598 -0.3123981 ] [ 0.5285163 1.30059 -0.7732485 ] [ -1.3398248 1.4534244 0.923051 ] [ 4.2737935 0.2194877 0.8980089 ] [ -2.3081444 -2.833519 -1.3736664 ] [ -4.5933647 0.1132945 -0.2665102 ] [ 1.4769697 3.7289597 -3.6303182 ] [ 2.2255608 -1.0441645 -0.5741039 ] [ -0.082594 -0.2721248 3.9465666 ] [ -5.1278185 2.9682009 -7.1815621 ] [ -1.7172327 0.3021406 -1.257314 ] [ 0.4546536 -3.709228 -0.4177219 ] [ 1.8308359 -1.3398023 0.5207474 ] [ 0.3095223 1.571377 0.5538645 ] [ -4.7245584 1.2681243 -6.9970225 ] [ -1.4873026 -2.3675983 0.2202356 ] [ -0.8919079 0.0112333 -0.0673857 ] [ 4.9390158 1.1557329 -0.1113798 ] [ -2.0710447 -3.8914896 -2.6693411 ] [ 2.5566015 -1.3402584 -1.8747043 ] [ 1.9739595 1.406562 0.9751686 ] [ -2.7363546 -1.2638611 1.0442207 ] [ 1.7583446 -0.4289286 -0.7822583 ] [ -1.0414183 -1.3262297 4.2963643 ] [ -2.1240452 -0.1467674 0.4474781 ] [ 2.4980121 3.1974666 -3.5515238 ] [ 1.9962211 -1.4276996 -1.9188373 ] [ -3.2037131 0.0011032 1.329248 ] [ 3.4102964 1.3008824 4.9780172 ] [ 1.939337 2.4697432 2.6601092 ] [ -1.0121118 -0.1660859 3.8446257 ] [ 0.0578026 -1.6661741 1.6107614 ] [ -1.1608923 1.0214893 -5.3999902 ] [ 6.8618021 1.5960218 5.3833469 ] [ -2.8359197 -4.0297229 0.1276905 ] [ -3.0827353 0.1843717 2.7509802 ] [ -0.0344916 -0.0477197 -1.764639 ] [ -0.2816421 3.4158996 -3.2533489 ] [ 3.9976555 2.3855095 2.8745465 ] [ -3.6905567 -5.137048 -0.3437275 ] [ 0.5140767 -4.8101783 1.373777 ] [ -1.3152169 2.1101545 1.8764022 ] [ 4.8936697 -1.5935622 2.3965032 ] [ 2.642314 -0.5823413 0.9440292 ] [ -4.3895998 -0.9770574 3.6369207 ] [ 0.7106457 -1.8861433 -0.8209156 ] [ 1.7275622 2.1289658 3.4667759 ] [ -1.2223479 -1.1965895 2.1206803 ] [ -1.5131342 -0.4405765 -0.5060474 ] [ -2.2610952 2.0345792 -4.9812295 ] [ 0.3075605 0.5117903 -1.6121997 ] [ -2.6928125 -1.1014268 -2.120006 ] [ -1.9140887 0.6920464 0.3848287 ] [ -0.8249829 -1.742573 1.3648085 ] [ 0.0312388 -0.3627241 -0.0075077 ] [ -7.0700645 6.5940812 0.5154452 ] [ -0.4242956 -1.8659167 -1.541515 ] [ 1.3095629 1.3290599 -3.2825509 ] [ 4.7733006 -0.9291118 1.7823662 ] [ -0.1650683 0.4174663 -0.3104804 ] [ 5.005175 1.214702 -0.9235443 ] [ -1.4115638 2.1100707 -0.9394486 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.270246579577454e-10 3.0186227040978475e-09 2.870337892050216e-10 ] [ 3.162274021319951e-09 -1.5258905957487238e-09 3.428218199273967e-09 ] [ 5.319912316697015e-09 -1.9540114184731318e-09 -5.005169363259954e-10 ] [ 8.467764665481343e-10 2.0837749084140597e-09 -1.2388806789755491e-09 ] [ -2.146635988213723e-09 2.3286426129654696e-09 1.4788907441903339e-09 ] [ 6.847372084241079e-09 3.516580643904018e-10 1.4387688767040426e-09 ] [ -3.69805502557795e-09 -4.539797933795046e-09 -2.2008562089908976e-09 ] [ -7.359381593780421e-09 1.81517800660713e-10 -4.2699641516266675e-10 ] [ 2.36636634246599e-09 5.9744521004676495e-09 -5.816410994024939e-09 ] [ 3.565741511306347e-09 -1.672935963952293e-09 -9.198158540682726e-10 ] [ -1.32330176908596e-10 -4.359919960919232e-10 6.3230967910448244e-09 ] [ -8.21567098409293e-09 4.75558212699777e-09 -1.1506130992239972e-08 ] [ -2.751310107080732e-09 4.840826095027404e-10 -2.014439112401076e-09 ] [ 7.284353744839824e-10 -5.942838431778552e-09 -6.692642676900846e-10 ] [ 2.933322499668361e-09 -2.146599939239458e-09 8.343293164962515e-10 ] [ 4.959093967619381e-10 2.517623512605018e-09 8.87388760302093e-10 ] [ -7.569577074448426e-09 2.031759122467606e-09 -1.1210465957072265e-08 ] [ -2.3829214734074485e-09 -3.793310674958122e-09 3.528563322949704e-10 ] [ -1.4289939970600085e-09 1.79977307827122e-11 -1.0796379400573381e-10 ] [ 7.913175709716817e-09 1.8516882475250588e-09 -1.784501130595932e-10 ] [ -3.3181794263095394e-09 -6.234853708574006e-09 -4.276755938595858e-09 ] [ 4.096127185749351e-09 -2.1473306920022257e-09 -3.0036074251193263e-09 ] [ 3.162631787362323e-09 2.253560770672308e-09 1.5623923451304925e-09 ] [ -4.3841234024584166e-09 -2.0249287230415374e-09 1.6730260062791236e-09 ] [ 2.8171786326400763e-09 -6.872193805743323e-10 -1.2533159700125622e-09 ] [ -1.6685360664800022e-09 -2.12485423665683e-09 6.883534492611765e-09 ] [ -3.4030955889998567e-09 -2.3514729891293157e-10 7.169389560467154e-10 ] [ 4.0022566180692716e-09 5.1229062745154245e-09 -5.690168447454889e-09 ] [ 3.1982988027177776e-09 -2.2874269394911465e-09 -3.0743162865076484e-09 ] [ -5.132914270859705e-09 1.7675212626288e-12 2.129690086391232e-09 ] [ 5.4638972070943175e-09 2.0842433848618417e-09 7.975662841490105e-09 ] [ 3.1071604268516583e-09 3.9569648470203886e-09 4.261964804128433e-09 ] [ -1.6215818769556813e-09 -2.6609894821686063e-10 6.159769463015894e-09 ] [ 9.26099751044484e-11 -2.6695052111959797e-09 2.5807242780291274e-09 ] [ -1.8599545176505182e-09 1.6366062883410163e-09 -8.651738122268987e-09 ] [ 1.0993818991752132e-08 2.557108835314621e-09 8.625072615896335e-09 ] [ -4.5436442792402895e-09 -6.456327871874719e-09 2.04582735483777e-10 ] [ -4.9390864664669804e-09 2.953960297108578e-10 4.407556197036647e-09 ] [ -5.5261635589274394e-11 -7.64553883214898e-11 -2.8272633732451263e-09 ] [ -4.512403917706914e-10 5.472874523209946e-09 -5.212439589829603e-09 ] [ 6.404950232881587e-09 3.822007581085023e-09 4.605531235646481e-09 ] [ -5.912923711192148e-09 -8.230458273336432e-09 -5.50712168963235e-10 ] [ 8.236416768238279e-10 -7.70675527763384e-09 2.201033409726618e-09 ] [ -2.1072097858219148e-09 3.3808402340299533e-09 3.006327760826195e-09 ] [ 7.84052324785379e-09 -2.553168121665635e-09 3.839621430346229e-09 ] [ 4.233453750491076e-09 -9.330136238731842e-10 1.5125015260537129e-09 ] [ -7.032914232171073e-09 -1.5654185363567916e-09 5.826989365250924e-09 ] [ 1.1385799355925738e-09 -3.0219347236356524e-09 -1.3152517928060904e-09 ] [ 2.7678597906216346e-09 3.410979259345117e-09 5.55438734229432e-09 ] [ -1.9584172439989683e-09 -1.917147737389743e-09 3.3977044248441105e-09 ] [ -2.424308259346283e-09 -7.05881373789501e-10 -8.107773199764516e-10 ] [ -3.6226738966895573e-09 3.259755254262413e-09 -7.980809513491504e-09 ] [ 4.92766246641357e-10 8.199784601678502e-10 -2.5830286886818096e-09 ] [ -4.314361267243125e-09 -1.7646802830213913e-09 -3.396624077139804e-09 ] [ -3.066708190543436e-09 1.1087805717238175e-09 6.165635512325959e-10 ] [ -1.3217683258295585e-09 -2.791909743639282e-09 2.186664288584589e-09 ] [ 5.0050075434199203e-11 -5.811480776086794e-10 -1.20286615150818e-11 ] [ -1.1327492142772893e-08 1.056488282133868e-08 8.258342555474568e-10 ] [ -6.797964962290103e-10 -2.989528137730388e-09 -2.46977931396051e-09 ] [ 2.0981510791332786e-09 2.1293887169663766e-09 -5.259226351895671e-09 ] [ 7.64767068837818e-09 -1.4886012163336812e-09 2.855665478871371e-09 ] [ -2.644685732741022e-10 6.688547513424342e-10 -4.974444421949736e-10 ] [ 8.019174434080951e-09 1.9461671616730678e-09 -1.4796810979238862e-09 ] [ -2.261574537760249e-09 3.380705971628024e-09 -1.5051625957640124e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -203.94878 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.267619698488065e-17 } }