{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.0411e-09 0.0 0.0 ] "source-value" [ 10.411 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.294380000000001e-10 9.210660000000001e-10 0.0 ] "source-value" [ -5.29438 9.21066 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.25117e-11 -6.75308e-12 1.02123e-09 ] "source-value" [ -0.225117 -0.0675308 10.2123 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.6272990303120254e-10 1.3501297250458617e-09 -8.116139699280076e-10 ] [ -9.078453440854561e-10 -4.606350711044006e-10 -1.5408561945567976e-09 ] [ -9.747823606905351e-10 -7.048117548618452e-10 2.0794736878900725e-09 ] [ 1.179127972348919e-09 3.283666591947773e-09 -1.1957555215372437e-09 ] [ 1.2351764364213792e-09 1.0659744087225812e-09 -4.354781263922866e-09 ] [ 2.1549563941551746e-10 9.096748695687475e-10 4.64667188897137e-09 ] [ 1.9363994758702944e-09 -1.6467163297699297e-09 -1.7499581879493504e-10 ] [ -4.391851305051303e-10 -2.116340733240653e-10 -6.322185741323559e-10 ] [ -3.7270922033151743e-10 5.701653123027994e-10 -2.031529834253929e-09 ] [ -1.135618623163826e-09 -1.515248285191227e-09 2.559845011480136e-09 ] [ 5.972611630961069e-10 2.39903838927433e-10 8.0957984649024e-13 ] [ 9.737455921992155e-10 7.520081931043853e-10 -4.3260499112350466e-10 ] [ -7.360394589425338e-10 -5.122016062978349e-10 8.18071222362818e-10 ] [ -5.82329197425575e-10 -3.968774137856371e-10 -2.307441951863194e-10 ] [ 5.022501989142543e-09 9.710263780383937e-11 -4.578601011971751e-10 ] [ 1.04532779948098e-09 -9.731511846728986e-10 -8.663420802472666e-10 ] [ 8.704209014884992e-11 -9.090719705063406e-10 1.308920460617589e-09 ] [ -1.148732599022736e-09 -4.2172140533841026e-10 -2.207446904605824e-11 ] [ -1.0474516448095122e-09 -3.4002017095499714e-10 1.4198729540022722e-10 ] [ 1.675364048838144e-10 -1.2525706271227565e-09 -8.54588832992402e-10 ] [ -1.0310733943033844e-09 5.910860539642195e-10 6.245177122044807e-10 ] [ -8.174112858127103e-10 -1.8091153553191489e-10 -6.901845231845894e-10 ] [ 1.9005488513679496e-09 -6.62165498222377e-10 -2.6555638493365903e-09 ] [ -6.490149927365126e-10 8.838969692637102e-10 2.333466747585496e-09 ] [ -9.166098910718803e-10 6.424600075278337e-11 -2.5280873073732864e-10 ] [ -4.2830859429716737e-10 -9.793673095262783e-10 3.38916431480928e-10 ] [ -2.2796489940221763e-10 2.1224301259233272e-09 8.770792270892198e-10 ] [ 9.785343379011246e-10 7.434099520512e-12 -1.400849189459879e-09 ] [ 7.084485355733991e-10 -5.918392371936575e-10 -3.0636773277638977e-10 ] [ 1.0771548778355098e-09 9.10086308524969e-10 9.167782798347265e-11 ] [ -2.7134495293401216e-10 2.608327516896192e-10 -2.561787810850518e-09 ] [ -2.1758888317059264e-10 -5.504785670747194e-10 2.7386610602097063e-09 ] [ 7.080915706222848e-11 5.198978219135098e-10 2.1081789250989735e-09 ] [ 1.5185454044591711e-09 4.221934065708979e-10 -8.230751403849005e-10 ] [ 8.819096293832698e-10 7.099249413294662e-10 -1.831440084353376e-09 ] [ 1.3816418154767424e-10 1.632754161607968e-10 1.7516230096760235e-09 ] [ 9.634038625472756e-10 -5.083951550821383e-10 2.9854127622321008e-09 ] [ 1.2892990841956378e-09 -3.065117684545997e-10 5.44691985773376e-10 ] [ -1.038965075466797e-09 5.586100940782656e-11 -9.094347032932896e-10 ] [ 3.284159261258669e-10 4.712639108067878e-10 -2.5337817635189338e-09 ] [ 1.0845897784443323e-09 -1.033740377506368e-10 -1.271543442448608e-10 ] [ 9.119853684736032e-10 -4.0987170705097344e-10 -7.393567656359001e-10 ] [ -1.143002414338445e-10 1.37094248000304e-10 -1.8987933464445387e-09 ] [ -2.862945425473728e-10 -1.6780124467923264e-10 2.5008866742289786e-09 ] [ -2.4824765433323523e-11 7.010766005057741e-10 -3.323470587261942e-09 ] [ -9.530634146366324e-10 1.1920910231701498e-09 6.847004328292532e-10 ] [ -1.257937277931788e-09 -1.0588897439230657e-10 1.7205979809378664e-09 ] [ 3.229073224682323e-10 -7.715650018085184e-11 8.99133348492194e-10 ] [ -3.568237993539475e-10 1.0762044666640513e-10 -7.677390040380481e-11 ] [ -5.725844387825453e-10 -7.502988308676538e-10 7.088085446600929e-10 ] [ 3.0630076179364034e-10 9.340382081352806e-10 8.324872871614523e-10 ] [ -4.815338629461159e-10 2.3064598175946432e-10 -5.572693926819803e-10 ] [ -7.027777916417396e-10 -2.555768112850848e-10 1.5150710844569666e-10 ] [ -4.0761087562136254e-10 -6.321467966197441e-10 1.7105547367903815e-09 ] [ -1.7033226717417522e-09 -4.961583709231161e-10 -8.365784451626651e-10 ] [ -5.825464525753555e-10 -7.980345617607552e-10 -9.884393142062343e-10 ] [ 1.894669984693248e-11 1.5688201046432545e-09 -2.9365862694955585e-10 ] [ -4.24488684797856e-10 4.4005383066892806e-11 2.2926698834194178e-10 ] [ 3.088166597412826e-10 2.583452122681651e-10 1.8604620718802094e-09 ] [ -1.048870692642555e-09 1.0999411939541894e-09 -1.0362479441355823e-09 ] [ 1.7036793162575423e-10 -1.7037853803498394e-09 -6.768069892715579e-10 ] [ 7.29438971917824e-10 7.704402738207168e-10 -4.605166702521235e-09 ] [ -3.991641684329725e-09 -1.1303277553089582e-09 4.5020677584963894e-09 ] [ -6.793352239791802e-10 -2.7404229738396e-09 9.804981257852391e-10 ] ] "source-value" [ [ 0.2263982 0.8426847 -0.5065696 ] [ -0.5666325 -0.2875058 -0.9617268 ] [ -0.6084113 -0.4399089 1.2979054 ] [ 0.7359538 2.0495035 -0.7463319 ] [ 0.7709365 0.6653289 -2.7180407 ] [ 0.1345018 0.5677744 2.9002245 ] [ 1.2086055 -1.0277995 -0.1092238 ] [ -0.2741178 -0.1320916 -0.3945998 ] [ -0.2326268 0.3558692 -1.2679812 ] [ -0.7087974 -0.9457436 1.5977296 ] [ 0.3727811 0.1497362 0.0005053 ] [ 0.6077642 0.4693666 -0.2700108 ] [ -0.4593997 -0.3196911 0.5105999 ] [ -0.3634613 -0.2477114 -0.1440192 ] [ 3.1347992 0.0606067 -0.2857738 ] [ 0.6524423 -0.6073932 -0.5407282 ] [ 0.0543274 -0.5673981 0.8169639 ] [ -0.7169825 -0.2632178 -0.0137778 ] [ -0.6537679 -0.2122239 0.0886215 ] [ 0.104568 -0.7817931 -0.5333924 ] [ -0.6435454 0.3689269 0.3897933 ] [ -0.510188 -0.1129161 -0.4307793 ] [ 1.1862293 -0.4132912 -1.6574726 ] [ -0.4050833 0.5516851 1.4564354 ] [ -0.5721029 0.0400992 -0.1577908 ] [ -0.2673292 -0.611273 0.211535 ] [ -0.1422845 1.3247167 0.5474298 ] [ 0.6107531 0.00464 -0.8743413 ] [ 0.4421788 -0.369397 -0.1912197 ] [ 0.6723072 0.5680312 0.0572208 ] [ -0.1693602 0.162799 -1.5989422 ] [ -0.1358083 -0.3435817 1.7093378 ] [ 0.0441956 0.3244947 1.3158218 ] [ 0.9478015 0.2635124 -0.5137231 ] [ 0.5504447 0.4431003 -1.143095 ] [ 0.0862353 0.1019085 1.0932771 ] [ 0.6013094 -0.3173153 1.8633481 ] [ 0.8047172 -0.1913096 0.33997 ] [ -0.648471 0.0348657 -0.5676245 ] [ 0.2049811 0.2941398 -1.5814622 ] [ 0.6769477 -0.064521 -0.0793635 ] [ 0.5692165 -0.2558218 -0.4614702 ] [ -0.0713406 0.0855675 -1.1851336 ] [ -0.178691 -0.1047333 1.5609307 ] [ -0.0154944 0.4375776 -2.0743472 ] [ -0.5948554 0.7440447 0.4273564 ] [ -0.7851427 -0.0660907 1.0739128 ] [ 0.2015429 -0.0481573 0.5611949 ] [ -0.2227119 0.0671714 -0.0479185 ] [ -0.3573791 -0.4682997 0.4424035 ] [ 0.1911779 0.5829808 0.5195977 ] [ -0.3005498 0.1439579 -0.3478202 ] [ -0.4386394 -0.1595185 0.0945633 ] [ -0.2544107 -0.394555 1.0676443 ] [ -1.0631304 -0.3096777 -0.5221512 ] [ -0.3635969 -0.498094 -0.6169353 ] [ 0.0118256 0.9791805 -0.1832873 ] [ -0.264945 0.027466 0.1430972 ] [ 0.1927482 0.1612464 1.1612091 ] [ -0.6546536 0.6865293 -0.6467751 ] [ 0.1063353 -1.0634192 -0.4224297 ] [ 0.45528 0.480871 -2.874319 ] [ -2.4913868 -0.7054951 2.8099697 ] [ -0.4240077 -1.7104375 0.6119788 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 3.2644e-12 -3.48865e-11 2.6211699999999998e-11 ] [ 8.95591e-12 9.19407e-12 2.92005e-10 ] [ 1.32511e-11 8.77004e-12 5.197700000000001e-10 ] [ -3.87306e-11 -5.7964700000000005e-11 7.71063e-10 ] [ -1.39484e-10 2.2423000000000004e-10 4.30563e-11 ] [ -1.46759e-10 1.95149e-10 2.3731499999999997e-10 ] [ -1.49513e-10 2.2449900000000002e-10 4.89593e-10 ] [ -1.5148200000000002e-10 2.2679299999999997e-10 7.74871e-10 ] [ -2.60635e-10 4.58616e-10 4.85327e-11 ] [ -2.69256e-10 4.4806900000000003e-10 2.67269e-10 ] [ -2.7292700000000003e-10 4.56722e-10 5.31696e-10 ] [ -2.8942100000000003e-10 4.4410600000000005e-10 7.877640000000001e-10 ] [ -3.9457900000000004e-10 6.84436e-10 6.4104200000000005e-12 ] [ -4.08301e-10 6.85325e-10 2.63122e-10 ] [ -4.5189700000000004e-10 6.91495e-10 5.13935e-10 ] [ -4.0955500000000004e-10 6.92809e-10 7.99318e-10 ] [ 2.65588e-10 1.82102e-12 1.84703e-11 ] [ 2.65332e-10 -2.7370899999999998e-11 2.7531500000000005e-10 ] [ 2.5995300000000004e-10 -2.7071800000000002e-11 5.54693e-10 ] [ 2.1427900000000003e-10 9.016470000000001e-12 8.06584e-10 ] [ 1.3739e-10 2.00123e-10 4.21206e-12 ] [ 1.5753900000000002e-10 2.1556600000000003e-10 2.62554e-10 ] [ 1.1634000000000001e-10 2.17468e-10 5.300390000000001e-10 ] [ 1.0137700000000002e-10 2.0565400000000002e-10 7.47411e-10 ] [ -1.2465800000000001e-12 4.6535300000000003e-10 4.22212e-12 ] [ -2.125e-11 4.2395500000000006e-10 2.9535700000000003e-10 ] [ -8.15717e-12 4.0382e-10 5.32116e-10 ] [ -2.5448100000000002e-11 4.43847e-10 7.97266e-10 ] [ -1.5764100000000002e-10 7.037829999999999e-10 -8.1675e-12 ] [ -1.42092e-10 6.46247e-10 2.79682e-10 ] [ -1.49707e-10 6.77968e-10 5.439240000000001e-10 ] [ -1.36691e-10 6.61651e-10 7.633160000000001e-10 ] [ 5.18815e-10 -9.76661e-12 -2.21188e-11 ] [ 5.00848e-10 -9.39251e-12 2.4953e-10 ] [ 5.07255e-10 -6.05492e-12 5.51938e-10 ] [ 4.96358e-10 -2.6665100000000005e-11 7.69705e-10 ] [ 3.9947300000000004e-10 2.3839500000000003e-10 1.1711100000000001e-11 ] [ 3.87483e-10 2.26191e-10 2.78385e-10 ] [ 3.90332e-10 2.16788e-10 5.36154e-10 ] [ 3.4260100000000005e-10 2.2236600000000002e-10 8.169520000000001e-10 ] [ 2.44878e-10 4.51192e-10 3.00057e-11 ] [ 2.35265e-10 4.71794e-10 3.08973e-10 ] [ 2.4512100000000004e-10 4.56732e-10 5.75721e-10 ] [ 2.47528e-10 4.47056e-10 7.949890000000001e-10 ] [ 1.3581300000000002e-10 6.92705e-10 6.90128e-11 ] [ 1.3072900000000001e-10 6.806190000000001e-10 2.84456e-10 ] [ 1.1512800000000002e-10 6.72026e-10 5.06169e-10 ] [ 1.0606899999999999e-10 6.72297e-10 8.10403e-10 ] [ 7.98813e-10 6.46273e-12 3.4855300000000004e-11 ] [ 7.81184e-10 -3.81409e-12 2.7379400000000003e-10 ] [ 7.915790000000001e-10 -3.4568100000000005e-11 5.60963e-10 ] [ 7.67692e-10 -1.22649e-11 8.166930000000001e-10 ] [ 6.65958e-10 2.51772e-10 1.12505e-11 ] [ 6.537160000000001e-10 2.2430300000000002e-10 2.45744e-10 ] [ 6.69999e-10 2.26023e-10 5.12355e-10 ] [ 6.341090000000001e-10 2.1461600000000002e-10 8.049659999999999e-10 ] [ 5.266060000000001e-10 4.55868e-10 3.09546e-11 ] [ 5.143449999999999e-10 4.38936e-10 2.5667900000000003e-10 ] [ 5.15982e-10 4.46608e-10 5.656850000000001e-10 ] [ 5.170079999999999e-10 4.33331e-10 8.20244e-10 ] [ 3.9388100000000005e-10 6.94156e-10 7.84897e-11 ] [ 3.7350300000000003e-10 7.06085e-10 3.1692800000000005e-10 ] [ 3.88909e-10 6.7996e-10 5.18682e-10 ] [ 3.70294e-10 6.72284e-10 8.16498e-10 ] ] "source-value" [ [ 0.032644 -0.348865 0.262117 ] [ 0.0895591 0.0919407 2.92005 ] [ 0.132511 0.0877004 5.1977 ] [ -0.387306 -0.579647 7.71063 ] [ -1.39484 2.2423 0.430563 ] [ -1.46759 1.95149 2.37315 ] [ -1.49513 2.24499 4.89593 ] [ -1.51482 2.26793 7.74871 ] [ -2.60635 4.58616 0.485327 ] [ -2.69256 4.48069 2.67269 ] [ -2.72927 4.56722 5.31696 ] [ -2.89421 4.44106 7.87764 ] [ -3.94579 6.84436 0.0641042 ] [ -4.08301 6.85325 2.63122 ] [ -4.51897 6.91495 5.13935 ] [ -4.09555 6.92809 7.99318 ] [ 2.65588 0.0182102 0.184703 ] [ 2.65332 -0.273709 2.75315 ] [ 2.59953 -0.270718 5.54693 ] [ 2.14279 0.0901647 8.06584 ] [ 1.3739 2.00123 0.0421206 ] [ 1.57539 2.15566 2.62554 ] [ 1.1634 2.17468 5.30039 ] [ 1.01377 2.05654 7.47411 ] [ -0.0124658 4.65353 0.0422212 ] [ -0.2125 4.23955 2.95357 ] [ -0.0815717 4.0382 5.32116 ] [ -0.254481 4.43847 7.97266 ] [ -1.57641 7.03783 -0.081675 ] [ -1.42092 6.46247 2.79682 ] [ -1.49707 6.77968 5.43924 ] [ -1.36691 6.61651 7.63316 ] [ 5.18815 -0.0976661 -0.221188 ] [ 5.00848 -0.0939251 2.4953 ] [ 5.07255 -0.0605492 5.51938 ] [ 4.96358 -0.266651 7.69705 ] [ 3.99473 2.38395 0.117111 ] [ 3.87483 2.26191 2.78385 ] [ 3.90332 2.16788 5.36154 ] [ 3.42601 2.22366 8.16952 ] [ 2.44878 4.51192 0.300057 ] [ 2.35265 4.71794 3.08973 ] [ 2.45121 4.56732 5.75721 ] [ 2.47528 4.47056 7.94989 ] [ 1.35813 6.92705 0.690128 ] [ 1.30729 6.80619 2.84456 ] [ 1.15128 6.72026 5.06169 ] [ 1.06069 6.72297 8.10403 ] [ 7.98813 0.0646273 0.348553 ] [ 7.81184 -0.0381409 2.73794 ] [ 7.91579 -0.345681 5.60963 ] [ 7.67692 -0.122649 8.16693 ] [ 6.65958 2.51772 0.112505 ] [ 6.53716 2.24303 2.45744 ] [ 6.69999 2.26023 5.12355 ] [ 6.34109 2.14616 8.04966 ] [ 5.26606 4.55868 0.309546 ] [ 5.14345 4.38936 2.56679 ] [ 5.15982 4.46608 5.65685 ] [ 5.17008 4.33331 8.20244 ] [ 3.93881 6.94156 0.784897 ] [ 3.73503 7.06085 3.16928 ] [ 3.88909 6.7996 5.18682 ] [ 3.70294 6.72284 8.16498 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.904608245934628e-17 "source-value" -243.70648 } }