{ "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" [ 10.6656 0 0 ] "si-unit" "m" "si-value" [ 1.06656e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -4.97231 9.23397 0 ] "si-unit" "m" "si-value" [ -4.972310000000001e-10 9.23397e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.327096 -0.195415 10.3337 ] "si-unit" "m" "si-value" [ -3.27096e-11 -1.95415e-11 1.03337e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.269864 0.23092 0.150138 ] [ -0.0875565 -0.0678843 2.65688 ] [ -0.185583 -0.124002 5.16787 ] [ -0.247475 -0.149113 7.80081 ] [ -1.25185 2.31497 0.102783 ] [ -1.33009 2.23681 2.65045 ] [ -1.41558 2.25796 5.21533 ] [ -1.14297 2.1204 7.89381 ] [ -2.51993 4.49406 -0.372763 ] [ -2.6487 4.51515 3.14803 ] [ -2.69338 4.55335 5.23236 ] [ -2.78635 4.54035 7.63353 ] [ -3.83312 6.93047 0.249743 ] [ -3.90752 6.87022 3.16907 ] [ -3.86715 6.9359 5.69365 ] [ -4.35586 6.71649 8.22945 ] [ 2.73978 0.250479 0.264014 ] [ 2.45161 -0.251013 3.08769 ] [ 2.36726 -0.197814 5.7056 ] [ 2.37282 -0.20985 8.20905 ] [ 1.27975 2.31073 0.316546 ] [ 1.17099 2.43543 2.59249 ] [ 1.14626 2.27147 4.94613 ] [ 0.981892 2.30646 7.62899 ] [ -0.260907 4.57694 0.0580022 ] [ -0.0623344 4.12569 2.85372 ] [ -0.0164066 4.50643 5.53346 ] [ -0.162872 4.45286 8.24652 ] [ -1.19615 6.91341 0.10063 ] [ -1.34338 7.21594 2.72001 ] [ -1.37111 6.78307 5.60835 ] [ -1.09603 6.92252 7.93792 ] [ 5.33237 -0.106624 0.192363 ] [ 5.19552 -0.238581 2.97809 ] [ 4.99624 -0.0362326 5.00484 ] [ 5.05364 -0.386067 7.87787 ] [ 3.99803 2.21015 0.233408 ] [ 3.97567 2.14844 2.78868 ] [ 3.90325 2.05717 5.26576 ] [ 3.47646 2.12088 7.88982 ] [ 2.68309 4.51814 0.690749 ] [ 2.7196 4.49899 2.723 ] [ 2.53387 4.44411 5.25645 ] [ 2.293 4.34024 8.08897 ] [ 1.40598 6.86991 0.345363 ] [ 1.60283 6.83551 2.85126 ] [ 1.40119 6.78628 5.44533 ] [ 1.15342 6.62457 8.01249 ] [ 7.8877 -0.147419 0.331857 ] [ 7.85387 -0.183106 2.82822 ] [ 7.95477 -0.0834911 5.40081 ] [ 7.66753 -0.299617 8.03622 ] [ 6.65006 2.14477 0.31074 ] [ 6.49847 2.32513 2.7962 ] [ 6.46599 2.06218 5.48338 ] [ 6.50653 2.09269 8.21289 ] [ 5.30681 4.27758 0.277018 ] [ 5.13302 4.46818 2.7415 ] [ 5.18495 4.37346 5.46131 ] [ 5.10463 4.3449 8.43696 ] [ 4.15322 6.44677 0.28988 ] [ 3.78088 6.40766 2.84763 ] [ 4.20867 6.52345 5.40704 ] [ 3.7067 6.59139 8.45526 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.69864e-11 2.3092e-11 1.50138e-11 ] [ -8.75565e-12 -6.78843e-12 2.65688e-10 ] [ -1.85583e-11 -1.2400200000000001e-11 5.16787e-10 ] [ -2.47475e-11 -1.49113e-11 7.800810000000001e-10 ] [ -1.25185e-10 2.3149700000000003e-10 1.02783e-11 ] [ -1.33009e-10 2.2368100000000003e-10 2.6504500000000004e-10 ] [ -1.41558e-10 2.2579600000000003e-10 5.21533e-10 ] [ -1.1429700000000001e-10 2.1204000000000002e-10 7.89381e-10 ] [ -2.51993e-10 4.49406e-10 -3.72763e-11 ] [ -2.6487e-10 4.51515e-10 3.14803e-10 ] [ -2.69338e-10 4.55335e-10 5.23236e-10 ] [ -2.7863500000000004e-10 4.54035e-10 7.633530000000001e-10 ] [ -3.83312e-10 6.93047e-10 2.49743e-11 ] [ -3.90752e-10 6.87022e-10 3.16907e-10 ] [ -3.8671500000000004e-10 6.935900000000001e-10 5.69365e-10 ] [ -4.35586e-10 6.71649e-10 8.22945e-10 ] [ 2.73978e-10 2.5047900000000003e-11 2.6401400000000004e-11 ] [ 2.45161e-10 -2.51013e-11 3.08769e-10 ] [ 2.36726e-10 -1.97814e-11 5.705599999999999e-10 ] [ 2.37282e-10 -2.0985000000000002e-11 8.20905e-10 ] [ 1.27975e-10 2.31073e-10 3.16546e-11 ] [ 1.17099e-10 2.4354300000000005e-10 2.5924900000000005e-10 ] [ 1.1462600000000001e-10 2.2714699999999999e-10 4.94613e-10 ] [ 9.81892e-11 2.30646e-10 7.62899e-10 ] [ -2.60907e-11 4.57694e-10 5.80022e-12 ] [ -6.23344e-12 4.12569e-10 2.8537200000000004e-10 ] [ -1.64066e-12 4.5064300000000003e-10 5.53346e-10 ] [ -1.62872e-11 4.4528600000000004e-10 8.246520000000001e-10 ] [ -1.19615e-10 6.91341e-10 1.0063e-11 ] [ -1.34338e-10 7.21594e-10 2.72001e-10 ] [ -1.3711100000000001e-10 6.783070000000001e-10 5.60835e-10 ] [ -1.0960300000000001e-10 6.92252e-10 7.93792e-10 ] [ 5.33237e-10 -1.06624e-11 1.9236300000000003e-11 ] [ 5.19552e-10 -2.38581e-11 2.97809e-10 ] [ 4.99624e-10 -3.6232599999999996e-12 5.004839999999999e-10 ] [ 5.05364e-10 -3.86067e-11 7.87787e-10 ] [ 3.9980300000000003e-10 2.21015e-10 2.33408e-11 ] [ 3.9756700000000003e-10 2.14844e-10 2.7886799999999997e-10 ] [ 3.90325e-10 2.0571700000000001e-10 5.26576e-10 ] [ 3.47646e-10 2.1208800000000002e-10 7.88982e-10 ] [ 2.68309e-10 4.51814e-10 6.90749e-11 ] [ 2.7196e-10 4.49899e-10 2.723e-10 ] [ 2.53387e-10 4.4441100000000003e-10 5.25645e-10 ] [ 2.2930000000000003e-10 4.34024e-10 8.08897e-10 ] [ 1.40598e-10 6.86991e-10 3.45363e-11 ] [ 1.6028300000000001e-10 6.835510000000001e-10 2.85126e-10 ] [ 1.40119e-10 6.786279999999999e-10 5.44533e-10 ] [ 1.1534199999999999e-10 6.624570000000001e-10 8.01249e-10 ] [ 7.8877e-10 -1.47419e-11 3.31857e-11 ] [ 7.85387e-10 -1.83106e-11 2.8282200000000003e-10 ] [ 7.95477e-10 -8.34911e-12 5.40081e-10 ] [ 7.667530000000001e-10 -2.9961700000000005e-11 8.036220000000001e-10 ] [ 6.65006e-10 2.14477e-10 3.1074000000000004e-11 ] [ 6.498470000000001e-10 2.3251300000000003e-10 2.7962e-10 ] [ 6.46599e-10 2.0621800000000002e-10 5.483380000000001e-10 ] [ 6.506529999999999e-10 2.0926900000000003e-10 8.212890000000001e-10 ] [ 5.30681e-10 4.2775800000000006e-10 2.77018e-11 ] [ 5.13302e-10 4.4681800000000005e-10 2.7415e-10 ] [ 5.18495e-10 4.3734599999999996e-10 5.461310000000001e-10 ] [ 5.10463e-10 4.3449e-10 8.43696e-10 ] [ 4.1532200000000004e-10 6.44677e-10 2.8988000000000004e-11 ] [ 3.78088e-10 6.40766e-10 2.8476300000000003e-10 ] [ 4.20867e-10 6.523450000000001e-10 5.40704e-10 ] [ 3.7067e-10 6.59139e-10 8.455260000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3747421000000006 -10.828602500000002 -2.0424298000000003 ] [ -2.3906341000000007 -6.981077200000001 -2.6568082000000004 ] [ -4.225975600000001 -2.7791821000000003 0.8856640000000002 ] [ -3.279121500000001 -5.123836000000001 0.06360810000000001 ] [ -8.236691700000002 -1.5323972000000003 -0.4795986000000001 ] [ -10.716812200000001 -4.225198600000001 -0.8597452000000002 ] [ -6.690102000000002 -2.9845864000000004 3.0163523000000008 ] [ -12.764052000000003 -4.183751400000001 -2.6561529000000004 ] [ -8.593625400000002 2.6794098000000006 7.798291100000002 ] [ -1.8789918000000005 4.549650800000001 -12.457798500000004 ] [ -4.723264900000001 -1.5357084000000005 3.4385869000000007 ] [ -5.522327200000001 -1.3465447000000001 -3.257499300000001 ] [ 0.47609990000000013 0.7547767000000002 7.502760500000002 ] [ -3.7494951000000007 -4.729638100000001 -6.201642200000002 ] [ -5.570414700000001 -4.408057000000001 2.2233737000000002 ] [ 0.09012810000000002 0.019942800000000004 -1.8481634000000005 ] [ -5.228594800000001 -7.827412200000002 2.8279370000000004 ] [ -3.863967900000001 3.6929890000000007 -3.0409922000000007 ] [ 0.29353090000000004 3.715688400000001 1.7086865000000004 ] [ -3.143797100000001 -0.6684469000000001 1.1158443000000002 ] [ 1.5296943000000005 -2.7807171000000004 -7.3677898000000015 ] [ 4.705750900000001 -9.302524800000002 0.4845821000000001 ] [ 2.6283013000000004 -4.691422800000001 4.351485000000001 ] [ 5.822360700000001 -5.504521200000001 -1.5339267000000005 ] [ 0.4921179000000001 3.9819074000000008 10.222752200000002 ] [ -6.5738039000000015 17.657643200000003 -0.4410261000000001 ] [ -1.6482892000000005 3.781087500000001 -0.6457873000000001 ] [ -1.8115363000000004 1.1663811000000002 -4.096087700000001 ] [ -6.512905700000002 -0.07676260000000001 5.436943800000001 ] [ 1.3878199000000002 -13.538077700000004 -3.4460005000000007 ] [ 2.5457745000000003 -1.0355951000000003 -6.071485800000001 ] [ -9.228563500000002 -1.7957864000000003 1.1943474000000003 ] [ -0.3784960000000001 1.2184565000000003 0.3435981000000001 ] [ 3.6300147000000007 0.4075088000000001 -7.266069800000002 ] [ 4.483167900000001 -2.6232312000000007 10.325772300000002 ] [ 3.947594500000001 11.395812600000001 -3.8088507000000007 ] [ 1.7402461000000005 -1.8247654000000004 -4.816739200000001 ] [ -0.21722930000000004 -4.6076861000000005 0.6763471000000001 ] [ -0.13848060000000004 2.5943296000000005 6.498530300000001 ] [ 7.1980248000000016 -0.5761845000000001 -2.4490110000000005 ] [ -4.4910402000000005 0.08088720000000002 -12.067066400000003 ] [ -5.150786100000001 -2.4206169000000006 8.992990900000002 ] [ 3.234611400000001 1.7004089000000004 6.350286400000002 ] [ 7.5039424000000015 1.6389219000000004 -2.0562839000000004 ] [ -0.5818472000000001 -0.09387490000000002 0.4481403000000001 ] [ -9.765279100000003 0.8616590000000002 2.8608910000000005 ] [ 2.5318428000000006 4.273240700000001 0.4066134000000001 ] [ 8.505958800000002 2.1958097000000003 -2.3827613000000003 ] [ 3.441140600000001 -0.4242555000000001 -1.1506223000000002 ] [ 3.3242176000000008 2.3869101000000006 2.0154687000000004 ] [ -1.3073322000000003 -2.3079844000000005 3.629107700000001 ] [ 2.5594359000000004 2.4559097000000003 -3.784904200000001 ] [ 4.4955851000000004 0.5510171000000001 0.4576035000000001 ] [ 6.244809300000002 -0.5547754000000001 1.6699183000000004 ] [ 3.5682275000000008 1.0467653000000001 5.393399700000001 ] [ 0.15463070000000004 -1.0844652000000001 -6.443496100000002 ] [ 9.676753800000002 2.8427337000000006 2.0623293000000005 ] [ 13.652046600000004 3.428523700000001 3.205405200000001 ] [ 4.110146300000001 -0.37335350000000006 6.334735400000001 ] [ 1.8543291000000004 -0.6014673000000001 -11.220749300000001 ] [ 6.105954700000002 10.018531800000002 2.7200093000000005 ] [ 11.628814000000002 14.071088400000004 3.257723800000001 ] [ -0.36255110000000007 5.831429000000001 6.109040200000002 ] [ 2.8081927000000007 4.373086400000001 -9.479637600000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.804756304396093e-09 -1.734933390437399e-08 -3.2723333021452936e-09 ] [ -3.83021809546362e-09 -1.1184918769990147e-08 -4.256676019059599e-09 ] [ -6.770759362174132e-09 -4.452740622251052e-09 1.4189901663749763e-09 ] [ -5.253731847347032e-09 -8.209290315648025e-09 1.0191141155313542e-10 ] [ -1.319663498320174e-08 -2.4551709878470254e-09 -7.684016706191126e-10 ] [ -1.7170226097806137e-08 -6.769514470929514e-09 -1.377463670633657e-09 ] [ -1.0718725103476671e-08 -4.781834592234178e-09 4.832729174972159e-09 ] [ -2.0450265869560973e-08 -6.703108735544789e-09 -4.255626112711339e-09 ] [ -1.3768505817228907e-08 4.2928877744706145e-09 1.249423978555016e-08 ] [ -3.0104767574376023e-09 7.289344204619409e-09 -1.9959593667780256e-08 ] [ -7.567504658972349e-09 -2.4604761151175266e-09 5.5092235851584955e-09 ] [ -8.847743605142647e-09 -2.1574024549765402e-09 -5.219089263731358e-09 ] [ 7.627961352297368e-10 1.209285592627628e-09 1.202074756359816e-08 ] [ -6.007353438517495e-09 -7.577715651096156e-09 -9.936126225268359e-09 ] [ -8.924788274030121e-09 -7.06248592674014e-09 3.5622373907901263e-09 ] [ 1.4440113588681543e-10 3.195188817653521e-11 -2.9610842152939963e-09 ] [ -8.377132417213904e-09 -1.2540896931526538e-08 4.530854583824059e-09 ] [ -6.19075908390605e-09 5.916820685419027e-09 -4.8722066470162556e-09 ] [ 4.702883493369907e-10 5.953189133704847e-09 2.7376175851312415e-09 ] [ -5.036918255656963e-09 -1.0709700042497348e-09 1.7877796646420867e-09 ] [ 2.450840464622987e-09 -4.455199963384242e-09 -1.1804500661783536e-08 ] [ 7.539444137404472e-09 -1.4904287871765526e-08 7.763861178746516e-10 ] [ 4.211002929971825e-09 -7.516487990374856e-09 6.971847590201492e-09 ] [ 9.328450268259886e-09 -8.819215247997642e-09 -2.4576215170087286e-09 ] [ 7.884598005531487e-10 6.379718995031693e-09 1.63786547100121e-08 ] [ -1.0532395005078075e-08 2.8290663346548992e-08 -7.066017124041475e-10 ] [ -2.6408504423145534e-09 6.057970043609476e-09 -1.0346653225939484e-09 ] [ -2.902401131502815e-09 1.868748544759218e-09 -6.562656003754803e-09 ] [ -1.0434825331985418e-08 -1.2298724408508842e-10 8.71094431673117e-09 ] [ 2.223532615980217e-09 -2.1690391760216467e-08 -5.521101481852318e-09 ] [ 4.078780419333033e-09 -1.6592062715048939e-09 -9.7275926824228e-09 ] [ -1.4785788805085261e-08 -2.877167009734978e-09 1.913555497158652e-09 ] [ -6.064174472624641e-10 1.9521825338454213e-09 5.505048473067955e-10 ] [ 5.815924733416521e-09 6.529010775093794e-10 -1.1641527254573056e-08 ] [ 7.18282685567885e-09 -4.202879734219782e-09 1.654371110706444e-08 ] [ 6.324743668406915e-09 1.825810467316279e-08 -6.102451593934545e-09 ] [ 2.788181638829628e-09 -2.9235964864116644e-09 -7.717266998311855e-09 ] [ -3.480397086801763e-10 -7.382327006226588e-09 1.0836275200936615e-09 ] [ -2.2187038158230045e-10 4.156574266014567e-09 1.0411793402001012e-08 ] [ 1.1532507145512526e-08 -9.231493427729732e-10 -3.9237482006089746e-09 ] [ -7.195439670794687e-09 1.2959558182968482e-10 -1.9333571827006503e-08 ] [ -8.252469136151989e-09 -3.878255837045516e-09 1.4408359889754635e-08 ] [ 5.182418805150029e-09 2.724355407825643e-09 1.017428048928798e-08 ] [ 1.2022641176161883e-08 2.6258423731308854e-09 -3.294530017450393e-09 ] [ -9.322219883983249e-10 -1.5040417129908664e-10 7.179999174137504e-10 ] [ -1.5645701998508555e-08 1.3805299162758063e-09 4.583652712620895e-09 ] [ 4.056459375121136e-09 6.846486400997805e-09 6.514664885512958e-10 ] [ 1.3628048439126682e-08 3.51807499405055e-09 -3.817604479259465e-09 ] [ 5.5133150636287426e-09 -6.797322489459872e-10 -1.8435001636193385e-09 ] [ 5.325983765051559e-09 3.824251589678604e-09 3.2291368576983567e-09 ] [ -2.094577103715815e-09 -3.6977986773165104e-09 5.814471559209483e-09 ] [ 4.100668395200761e-09 3.9348011365539505e-09 -6.064085071168465e-09 ] [ 7.2027214033785544e-09 8.828267225544417e-10 7.331616353366192e-10 ] [ 1.0005287544245899e-08 -8.888481829980038e-10 2.675504080949003e-09 ] [ 5.716930725296236e-09 1.6771029049420003e-09 8.64117897716261e-09 ] [ 2.4774569443906386e-10 -1.737504803826137e-09 -1.032361889269013e-08 ] [ 1.5503868831330712e-08 4.5545615108243665e-09 3.304215816073577e-09 ] [ 2.187299006879915e-08 5.493100561255227e-09 5.135625313942098e-09 ] [ 6.585180364181556e-09 -5.981782539221191e-10 1.0149365040452645e-08 ] [ 2.97096275576625e-09 -9.636568541750684e-10 -1.797762234443186e-08 ] [ 9.782817948602483e-09 1.6051457556945963e-08 4.357935344722697e-09 ] [ 1.863141407193208e-08 2.2544369049428454e-08 5.219448952385691e-09 ] [ -5.808709010509975e-10 9.342979286629987e-09 9.78776146460669e-09 ] [ 4.499220727709373e-09 7.0064568485431795e-09 -1.518805386150784e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -2961.2121 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.744384834938071e-16 } }