{ "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" [ 10.5393 0 0 ] "si-unit" "m" "si-value" [ 1.05393e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.43887 9.05087 0 ] "si-unit" "m" "si-value" [ -5.438869999999999e-10 9.05087e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.143218 -0.114794 10.5272 ] "si-unit" "m" "si-value" [ -1.43218e-11 -1.14794e-11 1.05272e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0494125 -0.132091 -0.111737 ] [ -0.184353 0.00430984 2.18102 ] [ -0.11482 0.380294 5.25782 ] [ -0.244788 0.0140152 7.75205 ] [ -1.34009 2.25547 0.00920874 ] [ -1.26592 1.82964 2.63403 ] [ -1.6022 2.11686 4.86106 ] [ -1.66796 2.19179 8.11251 ] [ -2.4686 4.65495 -0.00398125 ] [ -2.76237 4.7379 2.14805 ] [ -2.48563 4.61278 5.50478 ] [ -2.70397 4.5148 8.08626 ] [ -3.98412 6.86221 -0.0428531 ] [ -3.96331 6.85194 2.77309 ] [ -4.2696 6.9471 5.55519 ] [ -4.05263 6.79882 8.03872 ] [ 2.63278 -0.0182738 -0.0925887 ] [ 2.86231 -0.232189 2.37567 ] [ 2.47369 0.049804 5.46796 ] [ 2.47607 0.0805706 8.10722 ] [ 1.18343 2.27877 -0.357607 ] [ 0.95415 1.97479 2.63913 ] [ 0.838658 2.26204 5.11571 ] [ 1.16339 2.2787 7.75781 ] [ 0.00806354 4.51638 -0.0238729 ] [ 0.140016 4.43403 2.84088 ] [ 0.0408012 4.36729 5.18892 ] [ -0.252097 4.53274 7.85505 ] [ -1.3368 6.84839 0.00618535 ] [ -1.36517 6.60697 2.65842 ] [ -1.62439 6.56981 5.42544 ] [ -1.42765 6.93185 7.96007 ] [ 5.27133 -0.0417942 0.548974 ] [ 5.19823 -0.120697 2.85717 ] [ 5.16191 0.00847631 5.30183 ] [ 5.13479 -0.0212469 8.31225 ] [ 3.69224 2.55131 0.051838 ] [ 4.03576 2.12846 2.49134 ] [ 3.86904 2.26035 5.23367 ] [ 3.71411 2.63676 8.09455 ] [ 2.55809 4.50055 0.36649 ] [ 2.65311 4.49618 2.73582 ] [ 2.66157 4.48586 5.40926 ] [ 2.52374 4.61279 7.85315 ] [ 1.03181 6.80245 -0.224966 ] [ 1.09542 6.79948 2.63897 ] [ 1.26768 6.90023 5.34121 ] [ 1.19814 6.81094 7.63642 ] [ 7.89469 -0.0278934 0.337221 ] [ 7.90211 0.0217282 2.65444 ] [ 7.96695 0.205962 5.37915 ] [ 7.72314 -2.68416e-05 7.90902 ] [ 6.65304 2.20705 0.62969 ] [ 6.29274 2.1576 3.08819 ] [ 6.49406 2.29964 5.35531 ] [ 6.70652 2.22379 8.00048 ] [ 5.25236 4.63023 0.1322 ] [ 5.22305 4.62625 2.83966 ] [ 5.1632 4.60289 5.34535 ] [ 5.21651 4.83651 7.70287 ] [ 3.80398 6.65708 0.438012 ] [ 3.65432 7.1927 2.95946 ] [ 3.66801 6.95499 5.4583 ] [ 3.73246 6.78356 8.0622 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.94125e-12 -1.32091e-11 -1.11737e-11 ] [ -1.84353e-11 4.30984e-13 2.1810200000000002e-10 ] [ -1.1482000000000001e-11 3.8029400000000006e-11 5.25782e-10 ] [ -2.44788e-11 1.40152e-12 7.75205e-10 ] [ -1.34009e-10 2.2554699999999999e-10 9.20874e-13 ] [ -1.26592e-10 1.82964e-10 2.63403e-10 ] [ -1.6022000000000002e-10 2.11686e-10 4.861060000000001e-10 ] [ -1.6679600000000003e-10 2.1917900000000003e-10 8.112510000000001e-10 ] [ -2.4686e-10 4.6549500000000006e-10 -3.9812500000000003e-13 ] [ -2.7623700000000005e-10 4.7379e-10 2.1480500000000001e-10 ] [ -2.48563e-10 4.61278e-10 5.50478e-10 ] [ -2.70397e-10 4.5148000000000003e-10 8.08626e-10 ] [ -3.98412e-10 6.86221e-10 -4.28531e-12 ] [ -3.96331e-10 6.85194e-10 2.77309e-10 ] [ -4.2696e-10 6.9471e-10 5.55519e-10 ] [ -4.05263e-10 6.79882e-10 8.03872e-10 ] [ 2.63278e-10 -1.8273800000000002e-12 -9.25887e-12 ] [ 2.86231e-10 -2.32189e-11 2.37567e-10 ] [ 2.47369e-10 4.9804e-12 5.46796e-10 ] [ 2.47607e-10 8.057060000000002e-12 8.10722e-10 ] [ 1.18343e-10 2.2787700000000002e-10 -3.5760700000000005e-11 ] [ 9.541500000000001e-11 1.9747900000000002e-10 2.6391300000000005e-10 ] [ 8.386580000000001e-11 2.26204e-10 5.11571e-10 ] [ 1.16339e-10 2.2787000000000004e-10 7.75781e-10 ] [ 8.06354e-13 4.51638e-10 -2.38729e-12 ] [ 1.4001600000000001e-11 4.43403e-10 2.84088e-10 ] [ 4.08012e-12 4.36729e-10 5.188920000000001e-10 ] [ -2.5209700000000004e-11 4.5327400000000006e-10 7.855050000000001e-10 ] [ -1.3368e-10 6.848390000000001e-10 6.18535e-13 ] [ -1.36517e-10 6.60697e-10 2.65842e-10 ] [ -1.62439e-10 6.56981e-10 5.42544e-10 ] [ -1.4276500000000002e-10 6.93185e-10 7.96007e-10 ] [ 5.27133e-10 -4.17942e-12 5.48974e-11 ] [ 5.19823e-10 -1.20697e-11 2.85717e-10 ] [ 5.16191e-10 8.476310000000001e-13 5.30183e-10 ] [ 5.13479e-10 -2.12469e-12 8.312250000000001e-10 ] [ 3.6922400000000003e-10 2.55131e-10 5.1838000000000006e-12 ] [ 4.03576e-10 2.12846e-10 2.4913400000000003e-10 ] [ 3.86904e-10 2.2603499999999999e-10 5.23367e-10 ] [ 3.7141099999999997e-10 2.6367600000000003e-10 8.09455e-10 ] [ 2.55809e-10 4.5005499999999995e-10 3.6649e-11 ] [ 2.65311e-10 4.49618e-10 2.73582e-10 ] [ 2.66157e-10 4.4858599999999996e-10 5.40926e-10 ] [ 2.52374e-10 4.612790000000001e-10 7.853150000000001e-10 ] [ 1.03181e-10 6.802450000000001e-10 -2.2496600000000002e-11 ] [ 1.0954200000000001e-10 6.79948e-10 2.63897e-10 ] [ 1.26768e-10 6.90023e-10 5.34121e-10 ] [ 1.19814e-10 6.810940000000001e-10 7.636420000000001e-10 ] [ 7.89469e-10 -2.78934e-12 3.37221e-11 ] [ 7.902110000000001e-10 2.17282e-12 2.65444e-10 ] [ 7.96695e-10 2.0596200000000002e-11 5.37915e-10 ] [ 7.72314e-10 -2.6841600000000002e-15 7.90902e-10 ] [ 6.65304e-10 2.2070500000000001e-10 6.2969e-11 ] [ 6.292740000000001e-10 2.1576e-10 3.08819e-10 ] [ 6.49406e-10 2.29964e-10 5.35531e-10 ] [ 6.706520000000001e-10 2.2237900000000003e-10 8.00048e-10 ] [ 5.25236e-10 4.6302300000000005e-10 1.3220000000000002e-11 ] [ 5.22305e-10 4.62625e-10 2.83966e-10 ] [ 5.1632e-10 4.6028900000000006e-10 5.34535e-10 ] [ 5.216510000000001e-10 4.83651e-10 7.70287e-10 ] [ 3.8039800000000003e-10 6.65708e-10 4.38012e-11 ] [ 3.65432e-10 7.1927e-10 2.95946e-10 ] [ 3.66801e-10 6.95499e-10 5.458300000000001e-10 ] [ 3.7324600000000005e-10 6.78356e-10 8.062200000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1073056 0.199621 -0.032261 ] [ 2.7525552 -3.2064054 -0.4703416 ] [ 0.4787811 -3.7449379 2.3364888 ] [ 0.0741235 0.096268 0.2519786 ] [ -0.3668743 0.6866658 -0.3423345 ] [ -2.9159365 3.626211 -0.5854566 ] [ -0.001845 3.0029458 -0.6667965 ] [ 2.4540129 0.1367738 1.5721142 ] [ -0.4909645 -0.5774723 -1.1422398 ] [ -0.0418863 -1.1989844 1.6602799 ] [ -1.2259755 -3.172145 0.5691335 ] [ -0.7695382 -0.1461985 -0.5518688 ] [ -0.4731368 -0.4015723 -0.5211201 ] [ -1.1203923 0.190431 1.0611268 ] [ 0.867633 -0.2030138 -1.4667469 ] [ -0.2689882 0.4787009 -0.0175465 ] [ -0.0443644 1.0370139 0.8843042 ] [ -1.2739547 1.3621369 0.7513061 ] [ 0.0995079 0.3447036 0.2601173 ] [ 0.9040709 0.2927122 -1.5997913 ] [ 0.3756024 -0.1519466 0.6938865 ] [ 3.5120437 1.3579308 0.8998439 ] [ 3.2173332 0.8963936 0.559119 ] [ -0.4727416 0.1260286 -0.2602803 ] [ 0.4496795 -0.2211175 0.1953174 ] [ 0.0770341 0.1236747 -0.6601393 ] [ -0.5133615 0.9314019 0.2610888 ] [ 1.1813549 -0.2000096 -0.2367325 ] [ -0.4127777 -0.2757712 -0.0802582 ] [ -0.3467735 -0.0380249 1.1390387 ] [ 0.9511191 3.2313053 -0.9031166 ] [ -0.0722038 -0.8384397 -0.4537012 ] [ 0.273057 0.9159235 -2.1896922 ] [ 0.2779474 -0.2606447 0.897728 ] [ -0.0797134 -0.1805856 -0.2111097 ] [ 0.3523807 1.4533226 -0.3729496 ] [ 1.1713116 -0.9484949 -0.6881803 ] [ -2.0999125 0.2871393 0.6152598 ] [ -0.6654808 -0.3703319 0.4998215 ] [ 1.4479082 -1.8059593 0.4684999 ] [ -0.9333375 1.0760491 0.1948995 ] [ -0.5553283 0.3005362 -0.2708107 ] [ -0.4905372 0.2737575 -0.539782 ] [ -0.7491696 0.5033391 -0.326725 ] [ 1.6485045 -0.2519693 -0.2605978 ] [ 0.8219064 -0.197916 1.1089427 ] [ -1.1819045 -0.6879831 -0.3572485 ] [ -0.8698953 -0.1042602 1.7883548 ] [ -0.7695559 -0.4106206 -1.5701613 ] [ -2.0554342 0.0990493 0.460969 ] [ -1.8989776 -1.7494623 1.2455451 ] [ -0.0816645 -0.5834672 -0.0404613 ] [ -0.4873879 1.0715601 -1.0780699 ] [ 0.8377556 1.1405881 -1.2860879 ] [ -0.584006 0.6183591 1.3602784 ] [ -3.8717191 0.7650034 -1.0044898 ] [ 0.4603695 -0.4786782 -0.1939537 ] [ 0.7212467 -0.0010940999999999993 0.3408093 ] [ 1.0463471 0.0571459 -0.6332474 ] [ 0.3325142 -1.8348288 1.1053601 ] [ -0.2967715 0.0765795 -1.3428316 ] [ 0.711102 -2.8411668 0.1021434 ] [ 1.0362282 0.0617426 -1.5397695 ] [ 0.0563852 0.2624881 0.6131443 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.719225236009165e-10 3.198280992207168e-10 -5.16878199636288e-11 ] [ 4.410079588901469e-09 -5.1372277686868725e-09 -7.535703153096654e-10 ] [ 7.67091884900907e-10 -6.0000519497278485e-09 3.743467730121048e-09 ] [ 1.187589387518688e-10 1.5423833893117442e-10 4.037142218619149e-10 ] [ -5.877974262323654e-10 1.1001598910629287e-09 -5.484803323932575e-10 ] [ -4.671845288037379e-09 5.809830486287789e-09 -9.380048770130573e-10 ] [ -2.956015865376e-12 4.811249554289553e-09 -1.0683257631312673e-09 ] [ 3.931762095521608e-09 2.1913578469797505e-10 2.518804616467695e-09 ] [ -7.866118435427617e-10 -9.25212618219604e-10 -1.830069902907268e-09 ] [ -6.710925059181505e-11 -1.920984774383916e-09 2.660061639764162e-09 ] [ -1.9642292837735906e-09 -5.082336556787616e-09 9.118523878140768e-10 ] [ -1.2329361128525145e-09 -2.342358186960288e-10 -8.841912891089511e-10 ] [ -7.580487194001255e-10 -6.433897506208838e-10 -8.349264408489581e-10 ] [ -1.79506634918434e-09 3.051040960755648e-10 1.7001125506643177e-09 ] [ 1.3901013080345664e-09 -3.2526396405976707e-10 -2.3499875918108757e-09 ] [ -4.309666053110746e-10 7.669633903359187e-10 -2.81125920768672e-11 ] [ -7.107960447581952e-11 1.6614794260246292e-09 1.4168115149152473e-09 ] [ -2.0411004362982776e-09 2.182383895508988e-09 1.203725068484427e-09 ] [ 1.5942923096490432e-10 5.522760490255948e-10 4.1675385672561983e-10 ] [ 1.4484812595256148e-09 4.689766434629337e-10 -2.563148219019239e-09 ] [ 6.017813839963699e-10 -2.4344529013004926e-10 1.1117287277887392e-09 ] [ 5.626914307367929e-09 2.175644980424241e-09 1.4417088589494933e-09 ] [ 5.154736034363651e-09 1.436180868954747e-09 8.958073900450753e-10 ] [ -7.574155391995852e-10 2.0192007647215488e-10 -4.170150115148103e-10 ] [ 7.204659817530336e-10 -3.5426928894974403e-10 3.1293297191544194e-10 ] [ 1.2342223402436927e-10 1.9814871292445376e-10 -1.0576597529312774e-09 ] [ -8.224957933188193e-10 1.4922703487486997e-09 4.1831037131272707e-10 ] [ 1.892739201647522e-09 -3.204507050555597e-10 -3.79287276883536e-10 ] [ -6.613427805275963e-10 -4.41834169329961e-10 -1.2858781166749058e-10 ] [ -5.555923944129889e-10 -6.092260578825792e-11 1.824941175326425e-09 ] [ 1.5238607856163373e-09 5.17712180632713e-09 -1.4469523023763854e-09 ] [ -1.1568324029291904e-10 -1.3433284852905657e-09 -7.26909455468905e-10 ] [ 4.374855415457856e-10 1.4674712181413088e-09 -3.508273649588118e-09 ] [ 4.4532082609214597e-10 -4.175988446754298e-10 1.4383188134375423e-09 ] [ -1.2771494584447874e-10 -2.8933002637314053e-10 -3.382350257641018e-10 ] [ 5.645761191611386e-10 2.32847949220027e-09 -5.975311298567117e-10 ] [ 1.8766480611918413e-09 -1.519656353728034e-09 -1.1025863875551302e-09 ] [ -3.36443071322568e-09 4.6004787337287744e-10 9.857548672780838e-10 ] [ -1.0662177793512806e-09 -5.933371121164435e-10 8.008023218731872e-10 ] [ 2.3198046671046107e-09 -2.8934657685763336e-09 7.506195866271379e-10 ] [ -1.49537152181592e-09 1.7240207108528814e-09 3.122634223056096e-10 ] [ -8.897340191286087e-10 4.81512073344073e-10 -4.338865722024826e-10 ] [ -7.859272334726938e-10 4.38607866268656e-10 -8.648261007286656e-10 ] [ -1.2003020181340877e-09 8.064381383545133e-10 -5.2347115643088e-10 ] [ 2.6411953691835936e-09 -4.036993216193415e-10 -4.1752370259191427e-10 ] [ 1.3168392185658932e-09 -3.170963880822528e-10 1.7767220677468284e-09 ] [ -1.8936197579183136e-09 -1.1022704383255084e-09 -5.723751945158689e-10 ] [ -1.3937259122038024e-09 -1.6704325491993217e-10 2.86526025025546e-09 ] [ -1.2329644713787028e-09 -6.578867253388685e-10 -2.5156757257449353e-09 ] [ -3.293168620832752e-09 1.5869447276660545e-10 7.385537547135553e-10 ] [ -3.0424975141428945e-09 -2.802947596030996e-09 1.995583239371998e-09 ] [ -1.308409526493216e-10 -9.348175068436378e-10 -6.482614890717504e-11 ] [ -7.808814986408083e-10 1.71682854000211e-09 -1.727258389368194e-09 ] [ 1.3422324362642765e-09 1.8274235877826925e-09 -2.0605399656737685e-09 ] [ -9.35680759606925e-10 9.907204932789295e-10 2.179406250259231e-09 ] [ -6.203177824324817e-09 1.2256705623125108e-09 -1.6093700733920678e-09 ] [ 7.375932498293856e-10 -7.669270209266266e-10 -3.10748083657657e-10 ] [ 1.1555646005691515e-09 -1.752941440817279e-12 5.460366926112134e-10 ] [ 1.6764328608618797e-09 9.155782495457473e-11 -1.014574179462386e-09 ] [ 5.327464773240154e-10 -2.939719806530519e-09 1.77098210978515e-09 ] [ -4.754803590197473e-10 1.226938845325536e-10 -2.1514533951914575e-09 ] [ 1.1393109994041216e-09 -4.552051022753149e-09 1.636517674490227e-10 ] [ 1.6602205958536667e-09 9.892255022740608e-11 -2.4669826943209056e-09 ] [ 9.033904919913217e-11 4.205522970582125e-10 9.823654626367813e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -212.71268 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.408032828437118e-17 } }