{ "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" [ [ 1.3889379 1.1821048 -1.6009067 ] [ -2.6305709 1.5762522 -3.9423224 ] [ -4.8347981 1.4097832 3.9140661 ] [ 3.1733004 16.0904128 -4.3805808 ] [ 5.3053311 8.2209816 -30.3175205 ] [ 2.4268251 1.0102478 32.8630265 ] [ 8.4255825 -7.4234812 -0.623192 ] [ 1.1086558 -3.7722204 -0.9424076 ] [ 4.1160907 0.0746779 -5.5192125 ] [ -1.3504119 -4.184037 6.2264278 ] [ -2.0325758 6.8996239 0.7782221 ] [ 4.3707676 3.8678559 -2.2460744 ] [ 2.3459208 -0.5533161 1.1704795 ] [ 0.7323148 -0.7883566 3.0353326 ] [ 37.9844266 4.1281131 -0.4814367 ] [ 4.2844876 -5.140171 -4.7312948 ] [ -0.001208 -1.7464378 4.2014761 ] [ -3.0727397 -0.8903709 0.4523462 ] [ -0.8931138 -2.3721897 -0.7683253 ] [ 1.8136807 -5.3990028 -2.2390447 ] [ -6.6869484 6.1812713 1.4081986 ] [ -4.1356234 0.6842187 -1.4178577 ] [ 7.106439 -2.9249601 -7.457776 ] [ -3.5579359 3.4651295 7.777647 ] [ -2.471445 -2.2404928 3.2766321 ] [ 2.397394 -3.7801993 -0.3669814 ] [ -0.7232403 10.7443298 0.4715231 ] [ 2.604825 -1.086532 -2.9195521 ] [ 6.4628525 -4.4200489 0.9624171 ] [ 4.4696164 7.0114279 0.5008158 ] [ -1.0228042 -0.9176693 -8.524189 ] [ -2.5521061 0.1253648 7.3891826 ] [ 4.4747613 4.8215574 7.4651394 ] [ 5.1354097 0.916861 -0.0578898 ] [ 6.4015597 2.8184921 -9.2418304 ] [ -0.7623218 1.8641403 3.6844636 ] [ 0.52515 -0.255794 7.9284499 ] [ 2.6265635 -0.1096785 2.1050794 ] [ -3.996276 0.425269 -1.5649588 ] [ 6.4670802 -0.9183046 -8.1911544 ] [ 3.0671756 0.7414664 1.3893762 ] [ 6.0102872 -0.1720173 -1.0315202 ] [ 4.5815982 1.1228765 -7.8079164 ] [ -2.7514745 -2.369123 5.5845063 ] [ -2.3356036 0.3489363 -13.4311213 ] [ -6.8589309 2.9331111 2.8037414 ] [ -7.8735998 -0.8647874 8.9531634 ] [ 3.9053398 3.4897037 1.3123325 ] [ -0.9460153 -0.5852006 -2.7755937 ] [ -1.1819385 -5.326467 3.8535863 ] [ -0.144834 -0.9094261 0.1653555 ] [ -2.6662425 0.7062063 -1.6676184 ] [ -3.4282765 -5.7445912 -0.9223188 ] [ -1.8930211 -1.2999028 3.9568431 ] [ -8.4221555 -1.9745465 0.0953815 ] [ -5.3305152 -6.9020233 -3.9600242 ] [ -3.0745321 4.4793014 -1.7921551 ] [ -4.5574499 2.782022 5.8908334 ] [ -5.846735 -1.17103 1.0610777 ] [ -4.3811035 6.1466371 -3.8521199 ] [ -6.0359108 -6.7700154 -2.5224089 ] [ -1.8140876 -1.4710697 -17.3246308 ] [ -28.796129 -8.9440781 20.3500819 ] [ -4.6496989 -12.840834 3.5947312 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.2253238494570286e-09 1.8939406894992432e-09 -2.5649353079540478e-09 ] [ -4.214639230060351e-09 2.525434444131095e-09 -6.316296832974802e-09 ] [ -7.746200545927597e-09 2.2587217020457487e-09 6.271025249351507e-09 ] [ 5.084187753542854e-09 2.5779683419574513e-08 -7.018464201109027e-09 ] [ 8.500077524053517e-09 1.3171464628063934e-08 -4.8574022945916e-08 ] [ 3.888202470024713e-09 1.6185954197099051e-09 5.26523731808228e-08 ] [ 1.3499271409339307e-08 -1.1893728121578282e-08 -9.984636608957279e-10 ] [ 1.776262417908577e-09 -6.043763383178134e-09 -1.5099034364240183e-09 ] [ 6.594704342964704e-09 1.1964718645618862e-10 -8.842753305580725e-09 ] [ -2.1635983924555447e-09 -6.703566317191458e-09 9.975837134448025e-09 ] [ -3.256545453593857e-09 1.1054416195967952e-08 1.2468492646824115e-09 ] [ 7.002741721364258e-09 6.19698834665904e-09 -3.5986079219055694e-09 ] [ 3.7585794909745876e-09 -8.865101266360073e-10 1.8753149054760028e-09 ] [ 1.1732976612923833e-09 -1.2630865237796844e-09 4.8631389681384685e-09 ] [ 6.085776075440806e-08 6.6139663513293054e-09 -7.713466314900678e-10 ] [ 6.864505921382739e-09 -8.235461870964413e-09 -7.580369977125703e-09 ] [ -1.9354293738720003e-12 -2.798101835894365e-09 6.731506835729447e-09 ] [ -4.92307174970417e-09 -1.4265314515735505e-09 7.247385121186908e-10 ] [ -1.430926061862949e-09 -3.8006669087554695e-09 -1.2309928429710402e-09 ] [ 2.905836839076764e-09 -8.650156133060574e-09 -3.5873451008215398e-09 ] [ -1.0713672479243687e-08 9.903488445274804e-09 2.256182892951512e-09 ] [ -6.625999178503635e-09 1.0962392136858557e-09 -2.271658477276982e-09 ] [ 1.1385770516746326e-08 -4.6863027276023035e-09 -1.1948674448805984e-08 ] [ -5.70044176424976e-09 5.551749518684104e-09 1.2461164290900199e-08 ] [ -3.95969143121613e-09 -3.5896652128052354e-09 5.249743388834351e-09 ] [ 3.841048649291795e-09 -6.056546990323156e-09 -5.879690241926076e-10 ] [ -1.1587587094271502e-09 1.7214314153549893e-08 7.554632932112454e-10 ] [ 4.17338975065905e-09 -1.7408161824932881e-09 -4.6776381563656315e-09 ] [ 1.0354631264488485e-08 -7.081699068717403e-09 1.5419621897820414e-09 ] [ 7.161114959023197e-09 1.123354595235569e-08 8.023953726980173e-10 ] [ -1.6387129903970627e-09 -1.4702683101991361e-09 -1.3657256439599826e-08 ] [ -4.088924760908867e-09 2.008565532860832e-10 1.1838775706079368e-08 ] [ 7.169357997587464e-09 7.72498660576979e-09 1.196047191623278e-08 ] [ 8.22783342735695e-09 1.4689732708258741e-09 -9.27496849069332e-11 ] [ 1.025642937249605e-08 4.515722185733591e-09 -1.4807044722270873e-08 ] [ -1.2213741755488213e-09 2.9866820311577505e-09 5.903161488743522e-09 ] [ 8.413830593451e-10 -4.09827169917396e-10 1.2702777173619637e-08 ] [ 4.2082186674172595e-09 -1.75724329952169e-10 3.3727090273947397e-09 ] [ -6.402740030214984e-09 6.81356054964546e-10 -2.5073404225326793e-09 ] [ 1.0361404786644047e-08 -1.4712861730147165e-09 -1.312367618516629e-08 ] [ 4.914157078694931e-09 1.1879601409760976e-09 2.2260260834757107e-09 ] [ 9.629541715469284e-09 -2.7560209870376823e-10 -1.652677561939007e-09 ] [ 7.340529582416459e-09 1.799046491167701e-09 -1.2509661216305398e-08 ] [ -4.408348152946833e-09 -3.7957535136719825e-09 8.947365506285795e-09 ] [ -3.742049514206282e-09 5.590575866144141e-10 -2.1519028715279703e-08 ] [ -1.098921882220059e-08 4.699362069346037e-09 4.492088958858448e-09 ] [ -1.2614897625027074e-08 -1.3855421656576117e-09 1.4344549199863994e-08 ] [ 6.257044175390233e-09 5.591121727723346e-09 2.102588467538805e-09 ] [ -1.5156836090665002e-09 -9.375947275227804e-10 -4.446991371617606e-09 ] [ -1.893674247525009e-09 -8.533940969172079e-09 6.174125926962514e-09 ] [ -2.3204965060875598e-10 -1.4570612477697475e-09 2.6492871840338696e-10 ] [ -4.271791434077745e-09 1.131467232643594e-09 -2.671819234908466e-09 ] [ -5.492704503191301e-09 -9.203849792522022e-09 -1.4777176304589191e-09 ] [ -3.0329541740889772e-09 -2.082673892631175e-09 6.339561559224125e-09 ] [ -1.3493780750014589e-08 -3.163572265046481e-09 1.52818010615871e-10 ] [ -8.540426900621836e-09 -1.1058260458583572e-08 -6.344658243314543e-09 ] [ -4.925943491102951e-09 7.1766320397234874e-09 -2.8713490257239333e-09 ] [ -7.301839740405636e-09 4.457290643673948e-09 9.438155628266776e-09 ] [ -9.36750220218999e-09 -1.87619690371302e-09 1.7000338977984619e-09 ] [ -7.019301658835619e-09 9.847998339297522e-09 -6.1717764951464165e-09 ] [ -9.670595248668248e-09 -1.0846760485700164e-08 -4.041344600973642e-09 ] [ -2.906488764749138e-09 -2.35691350032539e-09 -2.775711866043673e-08 ] [ -4.6136485033449784e-08 -1.4329992944491116e-08 3.260442572016632e-08 ] [ -7.449638932715502e-09 -2.0573284195872755e-08 5.759394334150781e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -203.30918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.257372176737001e-17 } }