{ "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" [ 10.411 0 0 ] "si-unit" "m" "si-value" [ 1.0411e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.29438 9.21066 0 ] "si-unit" "m" "si-value" [ -5.294380000000001e-10 9.210660000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.225117 -0.0675308 10.2123 ] "si-unit" "m" "si-value" [ -2.25117e-11 -6.75308e-12 1.02123e-09 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2553524 1.1726933 -0.1752084 ] [ 0.6603741 0.4541802 -1.6088775 ] [ -0.2036792 0.0544347 1.9271558 ] [ 0.5662665 2.2213758 -0.3070039 ] [ 1.1361862 1.5584545 -9.1452871 ] [ 0.5478535 -1.0913657 9.179145 ] [ 1.1219316 -0.497318 1.167365 ] [ -0.4945972 -0.2893463 0.1527829 ] [ 0.3545477 1.0067123 -2.2560593 ] [ -1.1027146 0.5464297 2.3087257 ] [ -0.0648502 -0.1896269 -0.0050853 ] [ 0.7341386 0.2655718 -0.3731352 ] [ -0.1859995 -0.0436863 0.9151331 ] [ 0.7700794 -0.4829072 0.0976073 ] [ 7.4169923 -0.482294 0.5686299 ] [ 0.6038479 -0.4779706 -0.7218282 ] [ 0.0905724 -1.0322728 0.8381103 ] [ -0.5893105 -0.0231078 -0.0736541 ] [ -0.1360917 -0.1387267 -0.3912733 ] [ 0.089727 -0.3987924 -0.9159915 ] [ -0.4600027 0.6820243 0.4966806 ] [ 0.0175108 0.1172543 -0.1012455 ] [ 1.5758392 -0.2845186 -1.7546833 ] [ -0.746511 0.1580655 2.0031757 ] [ -0.378314 -0.0034248 0.8021137 ] [ 0.4364658 0.3510439 -0.2653523 ] [ -0.2018945 2.0074275 0.5572492 ] [ 0.3832765 0.0917027 -0.9035683 ] [ 0.7896206 -0.4913199 0.1465014 ] [ 0.5110338 0.8653977 -0.0876151 ] [ 0.0849053 0.0419131 -2.2636159 ] [ 0.2469526 -0.234141 2.1491543 ] [ -0.0463815 -0.068431 2.2907196 ] [ 0.6438809 0.5390611 -0.1296519 ] [ 0.4984384 0.0993893 -1.8371879 ] [ 0.1566318 0.1951881 1.3079402 ] [ -0.0128477 -0.6171313 2.3277287 ] [ 1.0920416 -0.1815592 0.260902 ] [ -0.1496444 0.150005 -0.2777948 ] [ 0.1627068 0.2846178 -2.4604062 ] [ 0.2225383 0.2118628 0.050698 ] [ 0.0311084 -1.5408729 -0.6652217 ] [ 0.1660566 0.2105076 -2.0254363 ] [ -0.0112143 0.4438048 1.8526498 ] [ -0.4710144 -0.0124454 -3.4080458 ] [ -1.4231644 0.3470924 0.7255366 ] [ -1.2181303 -0.1984977 2.4230297 ] [ 0.3510764 -0.0234701 0.1246634 ] [ -0.8189391 -0.9438877 -0.9885534 ] [ -1.1233895 -0.0334984 0.8581808 ] [ -0.4108022 0.9772203 0.8952699 ] [ -0.1250031 0.2756745 -0.6714696 ] [ -1.2424325 -0.7564412 -0.5246279 ] [ -1.218088 -0.3220106 1.7476658 ] [ -1.7070961 -0.3386331 -0.1761012 ] [ 0.1996777 -0.3310069 -1.3127865 ] [ -0.2521882 0.7119699 -0.6390291 ] [ 0.1319661 -0.7683355 1.2409563 ] [ -0.0229447 -0.1827614 0.3339097 ] [ -0.5024922 0.3524718 -1.0442579 ] [ 0.1386937 -1.1319284 -1.688093 ] [ -0.3950923 0.2968694 -6.566504 ] [ -5.618897 -1.2859232 5.8109764 ] [ -0.8545638 -1.7927631 0.204294 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.0911964871582156e-10 1.878861804108352e-09 -2.8071480456052557e-10 ] [ 1.0580359527187793e-09 7.276769040654468e-10 -2.577705937468335e-09 ] [ -3.263300550718128e-10 8.72140044187998e-11 3.087643992837577e-09 ] [ 9.07258954916961e-10 3.5590364020930575e-09 -4.918744751268726e-10 ] [ 1.8203709815132508e-09 2.496919385052153e-09 -1.465236530284162e-08 ] [ 8.77758076555119e-10 -1.748560623689054e-09 1.470661163909793e-08 ] [ 1.7975325944662342e-09 -7.96791279267612e-10 1.87032492634941e-09 ] [ -7.924320770818249e-10 -4.635838809943542e-10 2.4478519245475857e-10 ] [ 5.680480405784418e-10 1.6129309242203982e-09 -3.6146054953783963e-09 ] [ -1.7667435660906566e-09 8.754768974636298e-10 3.698986370855294e-09 ] [ -1.039014751502268e-10 -3.038157883578546e-10 -8.1475488368802e-12 ] [ 1.1762197110374723e-09 4.2549293260932125e-10 -5.978284987629168e-10 ] [ -2.9800405283568304e-10 -6.999316908591419e-11 1.4662048698199854e-09 ] [ 1.2338032210047396e-09 -7.737026322303648e-10 1.563841353678282e-10 ] [ 1.1883331757617918e-08 -7.72720177518396e-10 9.110455391737566e-10 ] [ 9.674709958699686e-10 -7.657933270589604e-10 -1.156496275802279e-09 ] [ 1.451129829653016e-10 -1.6538833600737553e-09 1.3428007393747302e-09 ] [ -9.441795132708568e-10 -3.7022777223145204e-11 -1.180068780182994e-10 ] [ -2.180429418213378e-10 -2.222646772519278e-10 -6.268889387680722e-10 ] [ 1.43758502838918e-10 -6.389358650967816e-10 -1.467580178242611e-09 ] [ -7.370055775169118e-10 1.0927233972802063e-09 7.957700518811005e-10 ] [ 2.80553946026472e-11 1.878620996960262e-10 -1.62213174397647e-10 ] [ 2.524772745181253e-09 -4.5584905285839244e-10 -2.8113125833300122e-09 ] [ -1.196042481223974e-09 2.53248850741527e-10 3.2094413003365935e-09 ] [ -6.061258511150759e-10 -5.4871345361232e-12 1.285127827951286e-09 ] [ 6.992953063001172e-10 5.624343340882326e-10 -4.251412548381582e-10 ] [ -3.2347065043311303e-10 3.216253434949035e-09 8.928116475551928e-10 ] [ 6.14076652661301e-10 1.469239232147118e-10 -1.4476760174831021e-09 ] [ 1.2651116750450604e-09 -7.871812635992166e-10 2.347211199282876e-10 ] [ 8.187664135442291e-10 1.386519974057342e-09 -1.403748660055734e-10 ] [ 1.360332877627602e-10 6.71521894785054e-11 -3.6267125033308807e-09 ] [ 3.956616854255484e-10 -3.75135239261394e-10 3.4433248023206266e-09 ] [ -7.4311355549871e-11 -1.09638549241254e-10 3.6701374181658267e-09 ] [ 1.0316109330588907e-09 8.636710987183373e-10 -2.0772524473370459e-10 ] [ 7.985863579683456e-10 1.592392141296162e-10 -2.9434995256475284e-09 ] [ 2.5095181010136116e-10 3.127258130548554e-10 2.095551227109287e-09 ] [ -2.05842847406418e-11 -9.887533489700443e-10 3.729432533431196e-09 ] [ 1.7496435348759743e-09 -2.908899079277328e-10 4.1801108816386804e-10 ] [ -2.397567610889496e-10 2.4033450598317e-10 -4.450763376067032e-10 ] [ 2.6068503315291124e-10 4.5600798878048514e-10 -3.942005323788731e-09 ] [ 3.5654566443008217e-10 3.3944162777381517e-10 8.1227150990532e-11 ] [ 4.9841151601125604e-11 -2.468750556343819e-09 -1.0658026641697577e-09 ] [ 2.660520044414844e-10 3.3727035799941836e-10 -3.245106713515414e-09 ] [ -1.79672894266662e-11 7.110536806170432e-10 2.9682722205447734e-09 ] [ -7.546482659575296e-10 -1.9939729080783602e-11 -5.4602913483618374e-09 ] [ -2.28016074802063e-09 5.561033331189816e-10 1.1624377876318043e-09 ] [ -1.9516599038274104e-09 -3.180283768427418e-10 3.88212156882803e-09 ] [ 5.624864048288376e-10 -3.76032458176434e-11 1.997327865949956e-10 ] [ -1.3120850906889893e-09 -1.5122748180600019e-09 -1.5838371589412557e-09 ] [ -1.7998684077809431e-09 -5.3670353756385595e-11 1.3749572255074272e-09 ] [ -6.581776860357949e-10 1.5656795309304703e-09 1.4343805149035165e-09 ] [ -2.0027704599756542e-10 4.41679242489633e-10 -1.0758129035613264e-09 ] [ -1.990596320822205e-09 -1.211952415634921e-09 -8.405465629244886e-10 ] [ -1.9515921317557922e-09 -5.159178592203203e-10 2.800069308800917e-09 ] [ -2.7350694834125273e-09 -5.425500403189855e-10 -2.821452278593608e-10 ] [ 3.199189452708618e-10 -5.303315208727746e-10 -2.103315855730641e-09 ] [ -4.0405004141051876e-10 1.1407015378913167e-09 -1.0238374924660494e-09 ] [ 2.114330019001074e-10 -1.2310091851727069e-09 1.988231187675094e-09 ] [ -3.6761462214139795e-11 -2.9281604467712756e-10 5.349823192059498e-10 ] [ -8.050812616072548e-10 5.647220821039212e-10 -1.6730856072499088e-09 ] [ 2.222118054230058e-10 -1.8135492338410056e-09 -2.704623160618962e-09 ] [ -6.330076513333182e-10 4.756372160295996e-10 -1.0520699275867535e-08 ] [ -9.002465482252697e-09 -2.060276104158509e-09 9.310210608805438e-09 ] [ -1.3691621526222491e-09 -2.8723231491174054e-09 3.27315073266396e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -256.97835 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.117247078138738e-17 } }