{ "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" [ [ 2.3078423000000003 -5.909898900000001 -0.8201103000000002 ] [ -0.8342459000000002 -0.05602020000000001 -0.5631481000000002 ] [ -0.4341776000000001 0.37433200000000005 0.3906204000000001 ] [ -0.9182866000000002 -1.7242768000000004 0.21762300000000007 ] [ -2.9774096000000005 1.2200372000000002 0.40246120000000013 ] [ -5.016077500000001 -2.4285803000000006 -0.6936203000000001 ] [ -1.1329578000000002 0.09351220000000002 0.7727724000000002 ] [ -12.547348700000004 -0.9459595000000002 0.8658232000000002 ] [ -4.555914200000001 2.4319270000000004 3.2622373000000007 ] [ -1.2931802000000001 0.6410429000000001 -10.851628500000002 ] [ -0.5978824000000001 -0.24851310000000004 5.814208000000001 ] [ -0.6591992000000001 0.12848400000000001 3.601909700000001 ] [ 0.17423950000000002 -0.5180846000000001 2.1661918000000004 ] [ -2.1558742000000004 -2.1498922000000005 0.3332936000000001 ] [ -1.6942073000000004 -2.6312634000000004 -0.8355678000000002 ] [ 0.5646468000000001 -1.4332914000000003 -1.8400875000000005 ] [ -3.6549045000000007 -3.5188246000000007 1.3008393000000003 ] [ -4.130321800000001 7.255032300000002 1.2116385000000003 ] [ 1.0381853000000003 2.5574530000000006 -1.3907629000000001 ] [ -1.5753952000000004 0.5795315000000001 0.26558060000000006 ] [ 0.4851878000000001 0.2599928000000001 -2.3341716000000003 ] [ 7.432450200000002 -7.969059700000002 -0.6367800000000001 ] [ 0.9109418000000002 -2.6518393000000002 3.251376600000001 ] [ 8.063412000000001 -2.1396358000000006 -3.8131505000000008 ] [ 3.822575500000001 1.3536741000000003 4.725785200000001 ] [ -3.4220686000000007 13.187653600000004 1.3737183000000002 ] [ -1.5573993000000004 0.3923812000000001 -0.6308166000000001 ] [ -1.1611072000000002 1.2615700000000003 -2.7578246000000006 ] [ -1.0276593000000003 -0.4974794000000001 1.6576223000000005 ] [ 5.293331500000001 -7.801798000000002 -2.5475384000000005 ] [ 1.6336077000000004 -0.49184480000000014 -1.1312349000000002 ] [ -8.492021400000002 -2.9827284000000005 -0.04273230000000001 ] [ -0.8432231000000002 1.5144355000000005 -2.2877112000000004 ] [ 2.1214367000000003 0.2980050000000001 -11.232310200000002 ] [ 0.5874545000000001 -1.7264019000000004 12.177967900000004 ] [ 1.4311222000000001 7.566908200000002 1.2473201000000003 ] [ 1.0765225000000003 2.7684879000000002 -0.9281728000000002 ] [ -1.0896827000000002 -0.6315782000000001 -0.5242220000000001 ] [ -2.1238466000000003 1.5951372000000004 1.0309051000000002 ] [ 4.711776800000001 -2.1771884000000004 0.6962456000000001 ] [ -1.7043578000000004 -0.5929755000000001 -13.027805900000004 ] [ -3.015004100000001 -7.010060600000002 10.690419800000003 ] [ -0.15110990000000002 0.020197400000000004 2.0000983000000003 ] [ 2.5281427000000005 1.5484698000000003 -0.8521554000000002 ] [ 0.7949505000000002 -2.0947835000000006 -0.038320400000000004 ] [ -6.952095800000002 0.5660070000000001 0.09898770000000003 ] [ 0.09560560000000003 0.8169760000000003 0.8065185000000002 ] [ 4.5532447000000005 -1.4753366000000003 -0.6284926000000001 ] [ 1.5073495000000003 -0.5912159000000001 -0.13822370000000003 ] [ -0.7057283000000001 0.026925400000000006 0.3805553000000001 ] [ -1.3802839000000002 -0.7916000000000002 0.8475210000000002 ] [ 1.0942481000000002 0.4290891000000001 -0.30322530000000003 ] [ 2.3126921000000005 -0.8503281000000003 1.1901800000000002 ] [ 2.4713397000000006 -1.0051117000000003 0.7026019000000001 ] [ 1.7866958000000004 -0.6132338000000002 0.34448270000000003 ] [ 0.15116460000000004 0.7811901000000002 -2.7173631000000005 ] [ 1.9138377000000004 1.5886878000000004 4.647626800000001 ] [ 5.251624500000001 -2.0847165000000003 1.8433318000000005 ] [ 2.9433822000000003 -1.8879337000000005 -0.3867151000000001 ] [ -0.48303020000000013 0.23487810000000006 -7.448317800000002 ] [ 0.9679707000000002 2.4614937000000006 4.954636500000001 ] [ 7.7883542000000014 10.342033700000002 2.6306633000000006 ] [ -1.5010953000000005 4.049495500000001 -1.4266902000000001 ] [ 1.9717606000000005 1.2864136000000002 -5.074863400000001 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.6975710080168186e-09 -9.468701926882304e-09 -1.3139615599627306e-09 ] [ -1.336609287990301e-09 -8.975425547200682e-11 -9.022627273014956e-10 ] [ -6.956292057261986e-10 5.997459837584881e-10 6.258428776437337e-10 ] [ -1.4712573338353046e-09 -2.762595999508292e-09 3.486704856209821e-10 ] [ -4.770336090967287e-09 1.954715094450785e-09 6.44813930731601e-10 ] [ -8.036642164833135e-09 -3.891014610452711e-09 -1.1113022375280703e-09 ] [ -1.8151985144680455e-09 1.4982306183393484e-10 1.238117882680102e-09 ] [ -2.0103068905790283e-08 -1.5155942076103233e-09 1.3872017002151092e-09 ] [ -7.299379277748804e-09 3.896376614993719e-09 5.226680376623249e-09 ] [ -2.071903099991447e-09 1.0270639557715987e-09 -1.7386225623548472e-08 ] [ -9.57913211159842e-10 -3.9816188206290547e-10 9.315388202815872e-09 ] [ -1.056153555391493e-09 2.0585406264285603e-10 5.770895559117951e-09 ] [ 2.79162455619843e-10 -8.300630405552366e-10 3.470621886722402e-09 ] [ -3.4540912690834434e-09 -3.4445070484588554e-09 5.339952181817426e-10 ] [ -2.7144193492122288e-09 -4.2157487373793965e-09 -1.3387272052827856e-09 ] [ 9.046639094228714e-10 -2.2963859907931482e-09 -2.948145197015476e-09 ] [ -5.855802589401454e-09 -5.6377785532643975e-09 2.0841743310489166e-09 ] [ -6.617505078860822e-09 1.162384322997528e-08 1.9412588935548093e-09 ] [ 1.6633562294222806e-09 4.097491439153203e-09 -2.228247821814079e-09 ] [ -2.5240613787557574e-09 9.285118279669711e-10 4.255070317637005e-10 ] [ 7.773565562618654e-10 4.1655438916823535e-10 -3.739755197266395e-09 ] [ 1.190809804380863e-08 -1.2767841246291052e-08 -1.0202340369985203e-09 ] [ 1.4594896668939015e-09 -4.248714963582917e-09 5.209279616854366e-09 ] [ 1.2919010296715211e-08 -3.428074484029898e-09 -6.109340633025418e-09 ] [ 6.124441147800868e-09 2.1688250130709797e-09 7.571542624743018e-09 ] [ -5.482758350865094e-09 2.112895045520599e-08 2.2009393619582025e-09 ] [ -2.495228768267957e-09 6.286639902608809e-10 -1.0106796168593245e-09 ] [ -1.8602988254091652e-09 2.0212579761553805e-09 -4.418522134790397e-09 ] [ -1.6464917181727967e-09 -7.970498705763398e-10 2.655803717057339e-09 ] [ 8.480852045316172e-09 -1.2499858458787935e-08 -4.0816064986977465e-09 ] [ 2.6173280860624826e-09 -7.880222461144034e-10 -1.8124381243453269e-09 ] [ -1.3605718262507972e-08 -4.7788577480482064e-09 -6.846469257707821e-11 ] [ -1.3509923480690457e-09 2.4263931718001078e-09 -3.6653174299801016e-09 ] [ 3.3989163112500684e-09 4.774566478151701e-10 -1.799614494827987e-08 ] [ 9.412058734381532e-10 -2.7660007850732053e-09 1.9511255618982055e-08 ] [ 2.292910549238675e-09 1.2123523509663002e-08 1.998427119338544e-09 ] [ 1.7247791954752655e-09 4.4356066248917286e-09 -1.4870967724743555e-09 ] [ -1.7458641604140322e-09 -1.011899834583779e-09 -8.398962394287481e-10 ] [ -3.4027773967203448e-09 2.555691549864185e-09 1.6516920630914339e-09 ] [ 7.549098693583292e-09 -3.488240382295846e-09 1.1155084318453105e-09 ] [ -2.7306822431356456e-09 -9.500514906344672e-10 -2.087284620526735e-08 ] [ -4.830569120434201e-09 -1.1231355296244023e-08 1.7127940811210958e-08 ] [ -2.4210475094607664e-10 3.2359802347551606e-11 3.2045107619631227e-09 ] [ 4.0505311613576725e-09 2.4809221320146537e-09 -1.365303470416924e-09 ] [ 1.2736511162866173e-09 -3.35621317698874e-09 -6.13960494855336e-11 ] [ -1.113848544808954e-08 9.068431900804382e-10 1.5859577999340183e-10 ] [ 1.5317705839955044e-10 1.3089398577387844e-09 1.2921850955887295e-09 ] [ 7.29510226722434e-09 -2.363749827805005e-09 -1.0069561583619084e-09 ] [ 2.4150401481715834e-09 -9.472323006292807e-10 -2.2145878240502584e-10 ] [ -1.1307013922125423e-09 4.313924674110361e-11 6.097168096048604e-10 ] [ -2.211458612866393e-09 -1.2682830234744002e-09 1.3578783430243143e-09 ] [ 1.7531787376188956e-09 6.874765299240896e-10 -4.858204904976402e-10 ] [ 3.7053412442563924e-09 -1.3623758130536158e-09 1.9068785862541205e-09 ] [ 3.9595227220165705e-09 -1.6103664803000183e-09 1.1256923471840048e-09 ] [ 2.862602262825938e-09 -9.825088655390295e-10 5.519221327572318e-10 ] [ 2.4219239000795646e-10 1.2516045249321237e-09 -4.353695664913806e-09 ] [ 3.0663060442083025e-09 2.545358471880866e-09 7.446319062512193e-09 ] [ 8.414030064441934e-09 -3.3400840648142617e-09 2.953343138669162e-09 ] [ 4.7158181857715155e-09 -3.0248032606811665e-09 -6.195858972349735e-10 ] [ -7.73899699956347e-10 3.763162036583155e-10 -1.1933520741766289e-08 ] [ 1.5508600379366242e-09 3.9437476908782065e-09 7.938202830263542e-09 ] [ 1.2478319116555765e-08 1.6569764742180568e-08 4.2147872711813336e-09 ] [ -2.405019815067221e-09 6.488007069588149e-09 -2.285809702396787e-09 ] [ 3.159108761161821e-09 2.0610618115798226e-09 -8.130827560221797e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -219.70001 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.519982225115663e-17 } }