{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.08883e-09 0.0 0.0 ] "source-value" [ 10.8883 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.08893e-10 9.25118e-10 0.0 ] "source-value" [ -5.08893 9.25118 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 2.92429e-14 -1.06915e-12 1.00599e-09 ] "source-value" [ 0.000292429 -0.0106915 10.0599 ] } "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" [ [ -4.593177935303113e-09 1.6140980966000485e-09 -1.2486722109690259e-09 ] [ -7.97933945068969e-10 4.6306108694361606e-09 2.1243065951816082e-09 ] [ -3.890334614637583e-09 6.930276977505625e-09 -3.0669076362667548e-09 ] [ -4.011963692587953e-09 -2.0580527466876384e-09 2.4544826725430862e-09 ] [ -3.5943134180429954e-10 -2.1964918617434417e-09 -3.672293116571614e-09 ] [ 3.277577840135747e-09 -5.520488603807655e-10 3.034644605653705e-09 ] [ -1.124685850556473e-09 -1.1801235649010842e-09 3.0269025677866752e-09 ] [ 5.6964132043896676e-09 5.447813872288167e-09 -1.6822588557080946e-09 ] [ -1.45243318837848e-09 6.7483679268096e-11 7.327362514034304e-10 ] [ 1.1941951617262465e-10 -2.067172656448556e-09 4.248148879578509e-10 ] [ -4.932625968986822e-10 -3.450430427265038e-09 1.6155275585811264e-10 ] [ -1.3225011505261382e-09 -8.170421443192782e-10 -1.4447515525700544e-09 ] [ 3.973634340635568e-09 4.3519136882069584e-09 2.501518572688222e-09 ] [ -1.4265646048767052e-09 8.072294533875265e-11 -5.4443555740521696e-09 ] [ 8.285844970655467e-09 2.052606948353539e-09 5.6822611782981405e-09 ] [ -3.883985509124677e-09 -7.578227484095277e-09 -3.5251810990320957e-09 ] [ -2.61118740216432e-09 -1.185670156166398e-08 -1.3281211054589184e-10 ] [ -7.007810630063013e-09 -2.796922931283802e-09 -2.973228369248579e-09 ] [ -2.4436360970379325e-09 -5.30008037043744e-09 2.611291223209348e-09 ] [ 5.696096774507059e-09 4.13212213261809e-09 -4.199891319760013e-09 ] [ 7.0011497409797e-10 -5.943660299423213e-10 6.600011338471045e-09 ] [ -4.82678425880483e-09 -4.147536673886807e-09 3.4769922725906325e-09 ] [ -3.5288371058631e-09 -1.0822185570455483e-09 -2.8316071712062046e-09 ] [ -6.553490217674172e-09 5.499695555622912e-11 -5.8967754845334185e-09 ] [ -7.256592770516947e-09 7.798045315380728e-09 4.5568106088405605e-09 ] [ -1.0378587725101344e-09 -9.615307899034307e-09 3.3766546799717357e-09 ] [ 5.888531484731092e-09 4.2819043377138334e-09 4.735714296631289e-09 ] [ -2.6463402787483068e-09 -2.2139251455543667e-09 -6.021162709536495e-09 ] [ -3.944054635427034e-09 -5.191749038004386e-09 -3.6496420241597297e-09 ] [ -1.533172796354089e-09 -9.43457724924288e-10 2.0669730252416047e-09 ] [ -2.400415139644583e-09 -3.983799189988572e-09 -1.026446308222514e-09 ] [ -1.5697666705908232e-09 -6.711758191024319e-10 -6.135490508408218e-10 ] [ 3.278468490119249e-09 3.5721151007441494e-09 -2.9274852654187665e-09 ] [ -1.5337684856217025e-09 3.879784922460263e-09 5.020396088192164e-09 ] [ 5.118052438236152e-09 1.565206074839716e-09 -1.0098988678652294e-09 ] [ 6.633903782707448e-09 -3.2225707908668063e-09 8.59669655492283e-10 ] [ 8.9194651288957e-09 9.26511246457827e-09 2.36056692425568e-09 ] [ 5.323218844977372e-09 2.9836157609342114e-09 -7.592684564615405e-10 ] [ 5.6386983164139135e-09 4.6450312601116705e-09 2.2367175499442056e-09 ] [ 2.5328880693998517e-09 7.104069882093664e-09 -3.3724986338173806e-09 ] [ -3.890215092261671e-09 -7.319471794176864e-09 5.4276839650067736e-09 ] [ -3.421764283165684e-09 8.636940988590057e-09 -1.6340230854916416e-10 ] [ -4.0030382870688e-11 -4.189990028461131e-09 7.093943004326573e-10 ] [ 9.360877124686081e-09 -1.3664128062607143e-09 -8.438287429812388e-09 ] [ -7.188826787728266e-09 2.0212787877987265e-09 1.6769364249737973e-09 ] [ 2.6722662201731058e-09 -4.188601582201546e-09 4.0126862742439335e-09 ] [ -6.066894918565286e-10 3.167052326820507e-09 -5.9525038337170426e-09 ] [ -2.614153511742407e-09 -1.0290339195957031e-08 2.3708923117060877e-09 ] [ 5.5703138934496034e-09 -5.378023058686119e-10 1.529337425850387e-08 ] [ -4.820085718570927e-09 1.4276445360061895e-08 -4.352940843638554e-10 ] [ 1.4342973501193345e-10 -1.615222343934864e-09 -4.500179433131115e-09 ] [ 6.227012124171163e-09 -3.302358385494336e-10 -1.9910998685340134e-09 ] [ -1.5617381635439944e-09 1.033790205199275e-09 5.631233775537606e-09 ] [ 9.15794671563685e-09 -7.72832003080247e-09 -2.417167177956344e-09 ] [ 5.836553190146112e-11 -2.0781108764564196e-09 -2.004315101955358e-09 ] [ -9.48053888996377e-09 8.925895624980944e-09 -6.804082337056623e-09 ] [ 1.938403798822915e-09 -5.267399171726361e-10 8.392972748010978e-09 ] [ 3.5105875130638772e-09 -3.6018825810526406e-09 -1.7805100939313855e-10 ] [ -6.522993747003215e-09 1.4624972608220353e-10 9.429209957563201e-11 ] [ -2.158650853225077e-09 -1.139439814404434e-09 -8.537645291427665e-09 ] [ 5.821835435489781e-09 -4.853045856231686e-10 1.1322642741469866e-08 ] [ 2.1210355913925833e-09 1.6076669596441574e-09 4.36364434477147e-09 ] [ -4.0763341824641724e-09 1.2214239931790804e-09 -5.597050856679852e-09 ] [ 9.676092557415513e-10 1.4230002425484115e-09 -1.482300692573408e-08 ] ] "source-value" [ [ -2.8668362 1.0074408 -0.7793599 ] [ -0.4980312 2.8902 1.3258879 ] [ -2.4281559 4.3255387 -1.9142132 ] [ -2.5040708 -1.2845355 1.5319676 ] [ -0.2243394 -1.3709424 -2.2920651 ] [ 2.0457032 -0.3445618 1.8940762 ] [ -0.7019737 -0.7365752 1.889244 ] [ 3.5554215 3.400258 -1.0499834 ] [ -0.9065375 0.04212 0.457338 ] [ 0.0745358 -1.2902277 0.2651486 ] [ -0.3078703 -2.1535893 0.1008333 ] [ -0.8254403 -0.5099576 -0.901743 ] [ 2.4801475 2.7162509 1.5613251 ] [ -0.8903916 0.0503833 -3.3980995 ] [ 5.1716177 1.2811365 3.5465885 ] [ -2.4241931 -4.7299576 -2.200245 ] [ -1.629775 -7.4003711 -0.0828948 ] [ -4.3739314 -1.745702 -1.8557432 ] [ -1.5251977 -3.30805 1.6298398 ] [ 3.555224 2.5790678 -2.621366 ] [ 0.4369774 -0.3709741 4.1194031 ] [ -3.0126418 -2.5886888 2.1701679 ] [ -2.2025269 -0.6754677 -1.7673502 ] [ -4.0903669 0.0343264 -3.6804778 ] [ -4.529209 4.8671571 2.8441375 ] [ -0.6477805 -6.0014032 2.1075421 ] [ 3.6753323 2.6725545 2.9558004 ] [ -1.6517157 -1.3818234 -3.7581142 ] [ -2.4616853 -3.2404349 -2.2779274 ] [ -0.9569312 -0.58886 1.2901031 ] [ -1.4982213 -2.4864919 -0.6406574 ] [ -0.9797713 -0.418915 -0.3829472 ] [ 2.0462591 2.2295389 -1.8271926 ] [ -0.957303 2.4215713 3.1334848 ] [ 3.1944371 0.9769248 -0.6303293 ] [ 4.1405571 -2.0113705 0.5365636 ] [ 5.5670923 5.7828284 1.47335 ] [ 3.3224919 1.8622265 -0.4738981 ] [ 3.5193987 2.8992005 1.3960493 ] [ 1.5809044 4.4340117 -2.1049481 ] [ -2.4280813 -4.568455 3.3876939 ] [ -2.1356973 5.3907546 -0.1019877 ] [ -0.024985 -2.6151861 0.4427691 ] [ 5.8426 -0.8528478 -5.2667648 ] [ -4.4869128 1.261583 1.0466614 ] [ 1.6678974 -2.6143195 2.5045218 ] [ -0.3786658 1.9767186 -3.7152607 ] [ -1.6316263 -6.4227246 1.4797946 ] [ 3.4767165 -0.3356698 9.5453735 ] [ -3.0084609 8.9106564 -0.2716892 ] [ 0.0895218 -1.0081425 -2.8087911 ] [ 3.8865953 -0.206117 -1.2427468 ] [ -0.9747603 0.6452411 3.5147397 ] [ 5.7159408 -4.823638 -1.5086771 ] [ 0.0364289 -1.2970548 -1.2509951 ] [ -5.917287 5.5711059 -4.2467742 ] [ 1.2098565 -0.3287652 5.2384816 ] [ 2.1911364 -2.2481183 -0.1111307 ] [ -4.0713325 0.0912819 0.0588525 ] [ -1.3473239 -0.7111824 -5.3287791 ] [ 3.6337039 -0.3029033 7.0670378 ] [ 1.3238463 1.0034268 2.7235726 ] [ -2.5442477 0.7623529 -3.4934044 ] [ 0.6039342 0.8881669 -9.2517933 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.6554599999999999e-12 4.6381e-13 1.28623e-11 ] [ -2.3478800000000003e-12 -4.52155e-12 2.54548e-10 ] [ -4.887270000000001e-13 -4.624800000000001e-13 5.13702e-10 ] [ -4.47334e-12 -3.06647e-11 7.45196e-10 ] [ -1.2630600000000002e-10 2.3057500000000003e-10 3.6396800000000006e-11 ] [ -1.39208e-10 2.33654e-10 2.5263e-10 ] [ -1.1753700000000002e-10 2.25364e-10 4.907350000000001e-10 ] [ -1.46062e-10 2.40803e-10 7.6638e-10 ] [ -2.6570700000000003e-10 4.84171e-10 -1.7287800000000002e-11 ] [ -2.6952099999999997e-10 4.914010000000001e-10 2.7391100000000005e-10 ] [ -2.71562e-10 4.80584e-10 5.089260000000001e-10 ] [ -2.41811e-10 4.7596e-10 7.570710000000001e-10 ] [ -3.78692e-10 6.96269e-10 -1.2418400000000001e-11 ] [ -3.6736800000000003e-10 6.79821e-10 2.2855500000000002e-10 ] [ -3.63384e-10 6.77872e-10 5.17021e-10 ] [ -3.90874e-10 6.889340000000001e-10 7.63294e-10 ] [ 2.2290800000000002e-10 7.672410000000001e-12 5.08547e-12 ] [ 2.66227e-10 -3.0376600000000002e-12 2.20661e-10 ] [ 2.68937e-10 -1.4877e-11 5.17388e-10 ] [ 2.69311e-10 1.4126600000000001e-11 7.96758e-10 ] [ 1.48301e-10 2.0835400000000002e-10 -3.77774e-11 ] [ 1.2821300000000002e-10 2.1725e-10 2.62382e-10 ] [ 1.2212600000000001e-10 2.2261799999999999e-10 5.08282e-10 ] [ 1.21936e-10 2.4446900000000003e-10 7.82317e-10 ] [ 1.13886e-11 4.5556200000000004e-10 -1.79321e-11 ] [ 8.10082e-12 4.45019e-10 2.6631000000000003e-10 ] [ 1.79801e-11 4.814050000000001e-10 5.52672e-10 ] [ 9.4404e-12 4.5650800000000004e-10 7.94684e-10 ] [ -1.18564e-10 6.749279999999999e-10 1.7059700000000002e-11 ] [ -1.09246e-10 6.895959999999999e-10 2.51272e-10 ] [ -1.03539e-10 6.71682e-10 5.114029999999999e-10 ] [ -1.20238e-10 6.935170000000001e-10 7.66034e-10 ] [ 5.60211e-10 -6.1213600000000005e-12 3.39346e-11 ] [ 5.09974e-10 -1.03113e-11 2.43936e-10 ] [ 5.14881e-10 -7.0821800000000004e-12 5.59289e-10 ] [ 5.38392e-10 -4.3668400000000003e-11 7.94408e-10 ] [ 4.1445400000000004e-10 2.22131e-10 1.92156e-11 ] [ 4.3364000000000007e-10 2.2558500000000003e-10 2.6103600000000003e-10 ] [ 4.00854e-10 2.3114900000000002e-10 4.79378e-10 ] [ 4.1570200000000004e-10 2.19838e-10 8.05353e-10 ] [ 2.53922e-10 4.31267e-10 -1.30544e-11 ] [ 2.70029e-10 4.51493e-10 2.3599000000000003e-10 ] [ 2.72561e-10 4.39358e-10 4.81989e-10 ] [ 2.3496700000000004e-10 4.5672600000000005e-10 7.95271e-10 ] [ 1.36939e-10 6.77949e-10 1.3361500000000001e-11 ] [ 1.5139700000000001e-10 6.809179999999999e-10 2.2221099999999998e-10 ] [ 1.61838e-10 7.05731e-10 5.273170000000001e-10 ] [ 1.4023600000000002e-10 6.74712e-10 8.092549999999999e-10 ] [ 7.86412e-10 -1.8199499999999998e-11 -3.1195e-11 ] [ 7.87067e-10 -5.99447e-11 2.54961e-10 ] [ 7.76506e-10 -1.9760799999999998e-12 5.58805e-10 ] [ 7.79642e-10 2.8380400000000003e-12 7.68034e-10 ] [ 6.643110000000001e-10 2.16023e-10 3.5492300000000003e-13 ] [ 6.431e-10 1.9413700000000001e-10 2.84412e-10 ] [ 6.70356e-10 2.0474100000000002e-10 5.1608e-10 ] [ 6.74068e-10 1.76825e-10 7.94802e-10 ] [ 5.37861e-10 4.5050600000000005e-10 -3.841570000000001e-11 ] [ 5.18526e-10 4.8805e-10 2.50278e-10 ] [ 5.358780000000001e-10 4.63189e-10 5.44052e-10 ] [ 5.37541e-10 4.43597e-10 7.87672e-10 ] [ 4.13979e-10 6.76291e-10 -4.35976e-11 ] [ 3.98975e-10 6.69094e-10 2.6118100000000003e-10 ] [ 4.38282e-10 6.87505e-10 5.19986e-10 ] [ 3.92995e-10 7.04105e-10 8.086330000000001e-10 ] ] "source-value" [ [ 0.0165546 0.0046381 0.128623 ] [ -0.0234788 -0.0452155 2.54548 ] [ -0.00488727 -0.0046248 5.13702 ] [ -0.0447334 -0.306647 7.45196 ] [ -1.26306 2.30575 0.363968 ] [ -1.39208 2.33654 2.5263 ] [ -1.17537 2.25364 4.90735 ] [ -1.46062 2.40803 7.6638 ] [ -2.65707 4.84171 -0.172878 ] [ -2.69521 4.91401 2.73911 ] [ -2.71562 4.80584 5.08926 ] [ -2.41811 4.7596 7.57071 ] [ -3.78692 6.96269 -0.124184 ] [ -3.67368 6.79821 2.28555 ] [ -3.63384 6.77872 5.17021 ] [ -3.90874 6.88934 7.63294 ] [ 2.22908 0.0767241 0.0508547 ] [ 2.66227 -0.0303766 2.20661 ] [ 2.68937 -0.14877 5.17388 ] [ 2.69311 0.141266 7.96758 ] [ 1.48301 2.08354 -0.377774 ] [ 1.28213 2.1725 2.62382 ] [ 1.22126 2.22618 5.08282 ] [ 1.21936 2.44469 7.82317 ] [ 0.113886 4.55562 -0.179321 ] [ 0.0810082 4.45019 2.6631 ] [ 0.179801 4.81405 5.52672 ] [ 0.094404 4.56508 7.94684 ] [ -1.18564 6.74928 0.170597 ] [ -1.09246 6.89596 2.51272 ] [ -1.03539 6.71682 5.11403 ] [ -1.20238 6.93517 7.66034 ] [ 5.60211 -0.0612136 0.339346 ] [ 5.09974 -0.103113 2.43936 ] [ 5.14881 -0.0708218 5.59289 ] [ 5.38392 -0.436684 7.94408 ] [ 4.14454 2.22131 0.192156 ] [ 4.3364 2.25585 2.61036 ] [ 4.00854 2.31149 4.79378 ] [ 4.15702 2.19838 8.05353 ] [ 2.53922 4.31267 -0.130544 ] [ 2.70029 4.51493 2.3599 ] [ 2.72561 4.39358 4.81989 ] [ 2.34967 4.56726 7.95271 ] [ 1.36939 6.77949 0.133615 ] [ 1.51397 6.80918 2.22211 ] [ 1.61838 7.05731 5.27317 ] [ 1.40236 6.74712 8.09255 ] [ 7.86412 -0.181995 -0.31195 ] [ 7.87067 -0.599447 2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.267073970209782e-17 "source-value" -203.91472 } }