{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05393e-09 0.0 0.0 ] "source-value" [ 10.5393 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.438869999999999e-10 9.05087e-10 0.0 ] "source-value" [ -5.43887 9.05087 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -1.43218e-11 -1.14794e-11 1.05272e-09 ] "source-value" [ -0.143218 -0.114794 10.5272 ] } "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" [ [ -1.3297431490698163e-09 -1.1699141750380225e-10 -4.589463929678437e-09 ] [ 9.14833141286478e-09 -6.23262342735019e-09 3.852738098271552e-10 ] [ 5.014049225726527e-09 -8.914464895879845e-09 -5.271991009921575e-10 ] [ 1.5443646409210253e-09 -2.307856915607981e-10 9.029665560574579e-10 ] [ -1.308683819130697e-09 1.002765977549428e-09 5.505384884803373e-10 ] [ -4.3521490479525545e-09 1.2401291809221934e-08 -3.2788246539820527e-09 ] [ -2.7643205596624667e-09 1.0350810789026535e-08 2.5829141117723867e-09 ] [ 4.643730292695581e-09 7.533142874856614e-10 -1.458719488567851e-09 ] [ -3.6818794199468466e-09 -4.415850468871928e-09 -1.8336472428661902e-09 ] [ -5.764113978589883e-10 -6.266166436865597e-09 6.824577700825221e-09 ] [ -4.5490640848789925e-09 -3.3238472589854916e-09 -3.840188409018488e-09 ] [ -3.3887874828680682e-09 -4.251063238851745e-10 -1.1634271221180654e-09 ] [ -3.251413174394448e-09 -2.8316340877734336e-09 1.7675183641486427e-09 ] [ -3.3514743915462567e-09 -1.1706303479875191e-11 4.7451519180161105e-09 ] [ 1.3634164155444942e-09 -1.6972225444757185e-10 -4.479676859567724e-09 ] [ -1.7906534741176704e-10 1.2856387514877583e-09 -1.0000962706461888e-10 ] [ 1.5197468767071092e-09 4.382591204836065e-09 1.0045780393075526e-09 ] [ -5.778104345060369e-09 3.873980717216091e-09 4.5845720038021475e-09 ] [ 3.173004412966779e-09 1.965358017202944e-10 -2.36059079668733e-09 ] [ 2.964925889999593e-09 3.050172901462499e-09 -3.738979712970863e-09 ] [ 1.072300763327472e-09 1.1494143251748863e-10 2.0939274038392956e-09 ] [ 1.202061127954895e-08 2.9012776613440304e-09 -2.5773763485002534e-09 ] [ 1.0081817190501207e-08 2.5046378503512576e-09 7.686684266957741e-10 ] [ 5.396491348594081e-10 9.775300935952072e-10 -2.6145649506986285e-09 ] [ 2.028433307498909e-09 -7.660304428896269e-10 2.050393541351904e-09 ] [ -2.6995637850029724e-09 -7.959121583911815e-10 -2.7778969236941394e-09 ] [ -1.1420407879306407e-09 4.675938368650537e-09 1.6670056536250924e-09 ] [ 2.442418282588462e-09 -3.650460095542311e-10 -5.934837112772468e-10 ] [ -3.115594258984301e-10 -5.6638545721900805e-12 -4.1213862675174335e-10 ] [ -7.472484467993127e-10 -2.3072636296052988e-09 4.58708325543759e-09 ] [ 1.8928704199127652e-09 5.593437147311638e-09 -2.8311768265658574e-09 ] [ 7.183350868473696e-10 6.940890276094791e-10 -2.427740422129989e-09 ] [ 5.667731839612416e-10 4.6376354526123955e-09 -5.508280178174821e-09 ] [ -9.041109908176954e-10 -7.891794917952557e-10 4.968321502792274e-09 ] [ -2.9807465830416826e-09 -1.1065876634479162e-09 5.3431465575692194e-09 ] [ 3.424586837718547e-10 6.455049281738978e-09 -1.4192545138266434e-10 ] [ 5.029366034221375e-09 -3.7035905153353075e-09 -1.8420525818542312e-09 ] [ -6.5422914837477665e-09 2.4886438017987975e-09 6.531135207501812e-10 ] [ -2.66421864722449e-09 -1.7667159940969462e-09 1.1002113209324563e-09 ] [ 6.8563206649071594e-09 -4.973085895409547e-09 -9.195713543377672e-10 ] [ -1.5259779018030625e-09 2.2993246842315723e-09 -1.4789078752959033e-09 ] [ 1.6960112989503937e-10 -1.42322118270442e-09 2.5138920225129985e-09 ] [ -1.2214866382849535e-09 -1.4448404733725088e-09 -2.130792686795593e-09 ] [ -2.222425012963035e-09 -2.7581102026449213e-10 3.8434276897104215e-09 ] [ 5.914079312473383e-09 -1.5418258318477057e-10 -2.5543264743274524e-09 ] [ 1.8401850847850267e-09 -3.7511729179257985e-09 -5.862953856503654e-10 ] [ -4.796657730715617e-09 -1.3174035051717388e-09 -4.0108272687108195e-09 ] [ -1.9128638217460666e-09 -1.9555206527512315e-11 2.4253634328953705e-09 ] [ -1.0871444490661979e-09 -1.6149007870870695e-09 -8.257955401564218e-09 ] [ -6.0429018430158205e-09 -7.236413355977972e-10 1.813497789030023e-09 ] [ -5.350109777380879e-09 -3.924142303730746e-09 2.4374015471534134e-09 ] [ -2.468994387285982e-09 -1.329427520275519e-09 3.9352030902501e-09 ] [ -2.8179474939902498e-09 4.011972023906381e-09 -5.378794827164358e-09 ] [ 3.2170155638695064e-09 6.07414813234531e-09 -3.0231582810238655e-10 ] [ -2.585347978277044e-09 3.3821099311478975e-09 5.071332967973624e-09 ] [ -1.1154701306336313e-08 1.3973958579714067e-09 3.087196159033607e-09 ] [ 1.4748167172946907e-09 -3.3654742108588073e-09 -2.9640711287723965e-09 ] [ 5.899949716854548e-10 1.2042142130067571e-09 2.32912420807248e-10 ] [ 2.7684120380990037e-09 -7.868792468207731e-10 -3.2232286445873067e-09 ] [ 2.914831915338336e-10 -6.534958962225013e-09 3.407876135563603e-09 ] [ -7.517449554855879e-10 -3.807324401954976e-10 -2.1497091055043925e-09 ] [ 4.0311465532687905e-09 -9.187640656038445e-09 2.6482886857368616e-09 ] [ 3.257573863936748e-09 -1.8444223612940565e-09 -7.29971855861902e-10 ] [ -7.60521198361344e-11 8.869332541777881e-10 5.7877770057554635e-09 ] ] "source-value" [ [ -0.8299604 -0.0730203 -2.8645181 ] [ 5.7099394 -3.8900976 0.240469 ] [ 3.1295234 -5.5639714 -0.3290518 ] [ 0.9639166 -0.1440451 0.5635874 ] [ -0.8168162 0.6258773 0.3436191 ] [ -2.7163978 7.7402776 -2.0464814 ] [ -1.7253532 6.460468 1.6121282 ] [ 2.8983885 0.4701818 -0.9104611 ] [ -2.2980484 -2.7561571 -1.1444726 ] [ -0.3597677 -3.9110335 4.2595664 ] [ -2.8393025 -2.0745823 -2.3968571 ] [ -2.1151148 -0.2653305 -0.7261541 ] [ -2.0293725 -1.767367 1.1031982 ] [ -2.0918258 -0.007306499999999994 2.9616909 ] [ 0.8509776 -0.1059323 -2.7959944 ] [ -0.1117638 0.8024326 -0.0624211 ] [ 0.9485514 2.7353983 0.6270083 ] [ -3.6064091 2.4179486 2.8614648 ] [ 1.9804336 0.122668 -1.4733649 ] [ 1.8505612 1.9037682 -2.3336876 ] [ 0.6692775 0.0717408 1.3069267 ] [ 7.5026755 1.8108351 -1.6086718 ] [ 6.2925754 1.563272 0.4797651 ] [ 0.3368225 0.6101263 -1.6318831 ] [ 1.2660485 -0.4781186 1.279755 ] [ -1.6849352 -0.4967693 -1.7338269 ] [ -0.7128058 2.9184912 1.0404631 ] [ 1.5244376 -0.2278438 -0.3704234 ] [ -0.1944601 -0.0035351000000000002 -0.2572367 ] [ -0.4663958 -1.4400807 2.8630322 ] [ 1.1814368 3.4911489 -1.7670816 ] [ 0.4483495 0.4332163 -1.5152764 ] [ 0.353752 2.8945844 -3.4379981 ] [ -0.5643017 -0.4925671 3.1009824 ] [ -1.8604357 -0.6906777 3.3349298 ] [ 0.2137459 4.0289249 -0.0885829 ] [ 3.1390834 -2.3115994 -1.1497188 ] [ -4.0833772 1.5532893 0.4076414 ] [ -1.6628745 -1.1026974 0.6866979 ] [ 4.2793788 -3.1039561 -0.5739513 ] [ -0.9524405 1.4351256 -0.9230617 ] [ 0.1058567 -0.8883048 1.569048 ] [ -0.762392 -0.9017985 -1.3299362 ] [ -1.3871286 -0.1721477 2.3988789 ] [ 3.691278 -0.0962332 -1.5942852 ] [ 1.1485532 -2.341298 -0.3659368 ] [ -2.9938383 -0.8222586 -2.5033615 ] [ -1.1939157 -0.012205399999999996 1.5137928 ] [ -0.6785422 -1.0079418 -5.1542104 ] [ -3.7716827 -0.4516614 1.1318963 ] [ -3.3392759 -2.449257 1.5213064 ] [ -1.5410251 -0.8297634 2.4561606 ] [ -1.7588245 2.504076 -3.3571797 ] [ 2.0079032 3.7911851 -0.1886907 ] [ -1.6136473 2.110947 3.1652771 ] [ -6.962217 0.8721859 1.9268763 ] [ 0.9205082 -2.1005638 -1.8500277 ] [ 0.3682459 0.7516114 0.1453725 ] [ 1.7279069 -0.4911314 -2.0117811 ] [ 0.1819295 -4.0788006 2.127029 ] [ -0.4692023 -0.2376345 -1.3417429 ] [ 2.5160438 -5.7344743 1.6529318 ] [ 2.0332177 -1.1511979 -0.4556126 ] [ -0.047468 0.5535802 3.6124463 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.600512419775254e-16 "source-value" 1623.1122 } }