{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07144e-09 0.0 0.0 ] "source-value" [ 10.7144 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.09399e-10 9.66634e-10 0.0 ] "source-value" [ -5.09399 9.66634 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.84924e-12 -6.11089e-12 1.07553e-09 ] "source-value" [ -0.0584924 -0.0611089 10.7553 ] } "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" [ [ -1.964957633265406e-09 -6.549814664288394e-09 -7.379958768141926e-10 ] [ -4.020308148864403e-10 -5.05853606286797e-09 -4.368996736208577e-09 ] [ -2.2177298343757807e-09 -8.25091607836307e-09 -1.1688734011051507e-09 ] [ 2.036702141038858e-09 -1.01218031930795e-08 6.968958167443938e-09 ] [ -1.2499528307420315e-09 -5.1159170572359495e-09 5.806438678381556e-10 ] [ 2.5038242650632152e-09 -5.39785319872176e-09 -3.587818194022272e-11 ] [ -1.0336174905595527e-09 3.672560680067288e-09 -5.285214254226023e-09 ] [ -4.1915263556228165e-10 -3.3411033420621563e-09 8.211214301917307e-09 ] [ -1.0372940372948349e-08 2.7358960237975296e-09 -4.004080823395955e-09 ] [ -1.1840283256742332e-08 -3.886411524963892e-09 -6.677478020045684e-10 ] [ -5.330555692377001e-09 -1.2624355490123462e-09 -5.379372091400832e-10 ] [ -8.671320174083857e-09 4.026937314850625e-09 4.744426292224551e-09 ] [ -4.143004757097212e-09 1.671406672584768e-11 -1.3111098349699124e-09 ] [ -4.850615834950919e-09 4.268362420479508e-09 -5.852061138311822e-09 ] [ -6.463748299701611e-09 7.280641441595156e-10 3.6236537580643814e-09 ] [ -4.867459197330066e-09 2.005957172774016e-09 1.884482063996905e-09 ] [ 4.1051948308052915e-09 -8.385426976779995e-09 -5.853690872370499e-09 ] [ -1.9295104368361787e-09 -9.947440073832119e-09 1.3085389823641766e-09 ] [ 6.893476102049484e-09 -2.1407957163098954e-09 -1.7371952489880577e-10 ] [ -5.402397772706659e-09 -7.08669603903537e-09 -7.80750440593227e-10 ] [ -3.036212816130144e-09 4.4671888541145595e-09 -2.8797311094945254e-09 ] [ -8.623012145701808e-09 -7.0267794399473136e-09 -1.4134919651746118e-09 ] [ -2.834410018986632e-09 -1.6598705202620217e-09 5.389448180169043e-10 ] [ -5.004305748824794e-10 -3.5360404919502165e-09 3.3458039680499216e-09 ] [ 8.068948548220386e-09 9.964409046858336e-10 -4.593379969774996e-09 ] [ 2.9694350558811724e-09 -4.4321556601241467e-10 -6.242590888543512e-09 ] [ -2.6810664956981743e-09 3.332271023004672e-10 4.5666071177884416e-10 ] [ 3.1205227144875435e-09 1.2541526163181345e-09 2.3980753209075667e-09 ] [ -3.249263854457645e-09 5.575037590780708e-09 -8.885793304379981e-10 ] [ 2.237182982252548e-09 1.5282449176344294e-08 -2.244987985660775e-09 ] [ 5.116517072380439e-09 7.709951396280323e-09 1.0589914821384865e-09 ] [ -1.6824328520891137e-10 6.207695321524825e-09 3.245605123926386e-09 ] [ 1.1319863285468105e-09 -3.0220905905237648e-09 -2.5565982005580846e-09 ] [ 3.324362679204403e-10 -7.20415785559504e-09 -9.704307688796112e-09 ] [ 1.360322131836743e-09 -4.289192158508867e-09 1.4168933701188041e-08 ] [ 8.861643055304014e-09 -7.333061776709813e-09 -2.6581760380991426e-10 ] [ -2.155077678925369e-09 2.760286599366616e-09 -2.2696361912304864e-09 ] [ 1.910954027214073e-09 -5.05784744735635e-09 -2.956159740836548e-09 ] [ 6.853483370329384e-09 -1.1899830393901632e-08 7.074387156928412e-09 ] [ 2.4520577782275053e-09 2.1571521772139808e-09 4.67294069619302e-09 ] [ -8.864250437536704e-10 -1.360856617957442e-09 -3.2073052520238242e-09 ] [ -1.5055040072011834e-09 8.079140153922955e-09 -8.489514303562213e-09 ] [ -1.2904693139994702e-09 9.018636176716993e-10 5.482006243987984e-09 ] [ 4.706659144048404e-09 5.526220070233242e-09 6.609636574738162e-09 ] [ 5.57280159308872e-09 4.3286281338532376e-09 -5.456097445853027e-09 ] [ 7.952797792789517e-10 8.403450662675686e-09 4.178555454136143e-09 ] [ -2.3516458446134037e-09 1.2585613097038235e-08 -3.830497483509917e-09 ] [ 3.1674443794396166e-09 6.372630592664771e-09 8.169300239993546e-09 ] [ -2.4257147902283117e-09 -4.638169458080109e-09 -1.803718263154322e-09 ] [ 8.326867581507419e-10 -9.044255141101246e-09 -6.888839723344212e-09 ] [ -5.688549721534781e-09 -5.4460756708722605e-09 3.837103578152799e-09 ] [ -4.951880286744949e-09 -7.396864935844609e-09 3.672055834214074e-09 ] [ 5.528377080617826e-09 -1.6112337252373824e-10 -3.963240219808129e-09 ] [ 3.2955741288112207e-09 1.832396904231318e-09 -5.342320315085874e-09 ] [ -2.5208270440161314e-09 -2.591688752471522e-09 4.1202799645607716e-09 ] [ 5.954329193541121e-10 -2.1909539382536467e-09 1.5233565806337716e-09 ] [ 1.7705778806237225e-09 3.1249424789136828e-09 -1.4871235165720416e-09 ] [ 8.192243409203401e-09 7.744869714207025e-09 -3.748448737017452e-09 ] [ 6.154479185282615e-09 4.0386628444499505e-09 6.921651339232224e-10 ] [ 3.9200984099398467e-10 6.486726716797125e-09 6.2133362649713376e-09 ] [ 2.11923907074768e-09 7.2098539139173075e-09 -7.67262196275698e-10 ] [ 3.013656252138887e-09 9.629822818130445e-09 -1.7171282912260955e-08 ] [ 7.583882046043067e-09 8.32742690136574e-09 1.7502120848784488e-08 ] [ 2.3529796566502196e-09 2.0569009419149453e-09 2.6668088861673372e-09 ] ] "source-value" [ [ -1.2264301 -4.0880728 -0.4606208 ] [ -0.2509279 -3.1572899 -2.7269133 ] [ -1.3841981 -5.1498168 -0.7295534 ] [ 1.2712095 -6.3175327 4.3496816 ] [ -0.7801592 -3.1931043 0.3624094 ] [ 1.5627642 -3.369075 -0.0223934 ] [ -0.6451333 2.2922321 -3.2987713 ] [ -0.2616145 -2.0853527 5.1250369 ] [ -6.4742802 1.707612 -2.4991507 ] [ -7.3901236 -2.4257073 -0.4167754 ] [ -3.3270712 -0.7879503 -0.335754 ] [ -5.4122124 2.5134166 2.961238 ] [ -2.5858602 0.0104321 -0.8183304 ] [ -3.0275163 2.6641023 -3.6525693 ] [ -4.0343544 0.4544219 2.2617068 ] [ -3.0380291 1.25202 1.1762012 ] [ 2.5622611 -5.2337719 -3.6535865 ] [ -1.2043057 -6.2087038 0.8167258 ] [ 4.3025694 -1.3361796 -0.1084272 ] [ -3.3719115 -4.4231678 -0.4873061 ] [ -1.895055 2.7882 -1.7973868 ] [ -5.3820609 -4.3857708 -0.8822323 ] [ -1.7690996 -1.0360097 0.3363829 ] [ -0.3123442 -2.2070229 2.0882866 ] [ 5.0362416 0.6219295 -2.8669623 ] [ 1.8533756 -0.2766334 -3.8963188 ] [ -1.6733901 0.207984 0.2850252 ] [ 1.9476771 0.7827805 1.4967609 ] [ -2.028031 3.4796648 -0.5546076 ] [ 1.3963398 9.5385546 -1.4012113 ] [ 3.1934788 4.8121732 0.6609705 ] [ -0.1050092 3.8745387 2.0257474 ] [ 0.7065303 -1.8862406 -1.5957031 ] [ 0.2074904 -4.4964817 -6.0569525 ] [ 0.8490463 -2.6771032 8.8435529 ] [ 5.5310026 -4.5769372 -0.1659103 ] [ -1.3450937 1.7228354 -1.4165955 ] [ 1.1927237 -3.1568601 -1.8450898 ] [ 4.2776079 -7.42729 4.4154852 ] [ 1.5304541 1.3463885 2.9166202 ] [ -0.553263 -0.8493799 -2.0018425 ] [ -0.9396617 5.0426027 -5.2987381 ] [ -0.8054476 0.562899 3.4215992 ] [ 2.9376656 3.4491953 4.1254107 ] [ 3.4782692 2.7017172 -3.4054282 ] [ 0.4963746 5.2450214 2.6080492 ] [ -1.4677819 7.8553219 -2.3908085 ] [ 1.9769633 3.9774832 5.0988762 ] [ -1.5140121 -2.8949177 -1.1257924 ] [ 0.5197222 -5.6449801 -4.2996756 ] [ -3.5505135 -3.3991731 2.3949317 ] [ -3.0907206 -4.61676 2.291917 ] [ 3.4505416 -0.1005653 -2.47366 ] [ 2.0569356 1.1436922 -3.3344141 ] [ -1.5733765 -1.6176049 2.5716765 ] [ 0.37164 -1.3674859 0.9508044 ] [ 1.1051078 1.9504357 -0.9281895 ] [ 5.1131962 4.8339675 -2.3395977 ] [ 3.8413238 2.5207351 0.4320155 ] [ 0.2446733 4.0486964 3.8780595 ] [ 1.322725 4.5000369 -0.4788874 ] [ 1.8809763 6.0104627 -10.7174719 ] [ 4.7334869 5.1975711 10.9239647 ] [ 1.4686144 1.2838166 1.6644912 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.38471e-12 2.72297e-12 -1.8026000000000003e-11 ] [ -6.3454e-12 -5.00934e-12 2.8757e-10 ] [ -1.1774300000000001e-11 -1.53794e-11 5.34906e-10 ] [ -3.08272e-11 -9.401090000000001e-13 7.68584e-10 ] [ -1.4608200000000002e-10 2.1732200000000002e-10 1.54735e-11 ] [ -1.43053e-10 2.2519999999999998e-10 2.9372500000000004e-10 ] [ -1.52004e-10 2.12235e-10 5.703909999999999e-10 ] [ -1.38217e-10 2.4539100000000003e-10 7.73711e-10 ] [ -2.32386e-10 4.34974e-10 -3.4135300000000003e-12 ] [ -2.14732e-10 4.59913e-10 2.8545600000000003e-10 ] [ -2.58803e-10 4.49203e-10 5.223980000000001e-10 ] [ -2.53205e-10 4.45019e-10 7.97976e-10 ] [ -3.6333700000000003e-10 7.17929e-10 -4.910280000000001e-12 ] [ -3.89229e-10 6.71793e-10 2.89818e-10 ] [ -3.66413e-10 7.020150000000001e-10 5.09652e-10 ] [ -3.9278800000000003e-10 6.93366e-10 8.0512e-10 ] [ 2.45378e-10 3.0937300000000004e-11 2.91799e-11 ] [ 2.63293e-10 -9.16649e-12 2.38171e-10 ] [ 2.3029600000000001e-10 -2.01703e-11 4.97556e-10 ] [ 2.76192e-10 -2.81406e-11 7.625320000000001e-10 ] [ 1.31779e-10 2.17407e-10 -2.3038500000000002e-11 ] [ 1.52587e-10 2.23453e-10 2.9013300000000004e-10 ] [ 1.2551000000000001e-10 2.1107800000000002e-10 5.57886e-10 ] [ 1.5430800000000002e-10 1.87063e-10 7.884710000000001e-10 ] [ -1.3547500000000002e-11 4.44987e-10 2.53366e-11 ] [ 2.06692e-11 4.4119000000000006e-10 2.48107e-10 ] [ 3.96793e-12 4.80924e-10 5.07207e-10 ] [ -2.30702e-12 4.46471e-10 7.99008e-10 ] [ -1.2234300000000001e-10 6.87043e-10 1.07938e-11 ] [ -1.45159e-10 6.56532e-10 2.67083e-10 ] [ -1.48914e-10 6.71211e-10 5.58461e-10 ] [ -1.3125899999999999e-10 6.653030000000001e-10 7.82887e-10 ] [ 5.36229e-10 -2.01486e-11 7.79356e-12 ] [ 5.08432e-10 1.60103e-11 3.04183e-10 ] [ 5.04314e-10 -4.1979100000000004e-11 4.932530000000001e-10 ] [ 4.97733e-10 -1.2491700000000001e-11 7.93817e-10 ] [ 4.07742e-10 2.3290600000000004e-10 2.5320399999999998e-11 ] [ 3.79674e-10 2.43742e-10 2.78537e-10 ] [ 3.81248e-10 2.52072e-10 5.25869e-10 ] [ 4.0443e-10 1.9150400000000002e-10 8.20099e-10 ] [ 2.79101e-10 4.60985e-10 -3.9135400000000003e-13 ] [ 2.79476e-10 4.4314200000000005e-10 3.20273e-10 ] [ 2.32095e-10 4.60023e-10 5.44999e-10 ] [ 2.43436e-10 4.156e-10 8.024369999999999e-10 ] [ 1.10367e-10 7.032670000000001e-10 4.75772e-11 ] [ 1.4341200000000002e-10 6.61174e-10 2.58351e-10 ] [ 1.56081e-10 6.78949e-10 5.836990000000001e-10 ] [ 1.26983e-10 6.69138e-10 7.946570000000001e-10 ] [ 8.136939999999999e-10 -8.4966e-12 3.2920600000000004e-12 ] [ 7.94829e-10 1.66431e-11 2.8862600000000003e-10 ] [ 8.08334e-10 -1.75614e-11 5.07998e-10 ] [ 8.050710000000001e-10 -4.61084e-12 7.698470000000001e-10 ] [ 6.29462e-10 2.13237e-10 2.27677e-11 ] [ 6.59496e-10 2.1471399999999998e-10 2.68125e-10 ] [ 6.579600000000001e-10 2.22172e-10 4.97661e-10 ] [ 6.61546e-10 2.04155e-10 7.94854e-10 ] [ 5.60831e-10 4.89949e-10 2.7305600000000004e-11 ] [ 5.314260000000001e-10 4.4438500000000006e-10 2.78226e-10 ] [ 5.2365e-10 4.3873600000000005e-10 5.62938e-10 ] [ 5.34171e-10 4.2370000000000005e-10 7.77426e-10 ] [ 3.76471e-10 6.57935e-10 2.97265e-11 ] [ 3.95924e-10 6.9387e-10 3.15334e-10 ] [ 3.93889e-10 6.54727e-10 5.0212e-10 ] [ 3.94816e-10 6.64802e-10 7.824430000000001e-10 ] ] "source-value" [ [ 0.0138471 0.0272297 -0.18026 ] [ -0.063454 -0.0500934 2.8757 ] [ -0.117743 -0.153794 5.34906 ] [ -0.308272 -0.00940109 7.68584 ] [ -1.46082 2.17322 0.154735 ] [ -1.43053 2.252 2.93725 ] [ -1.52004 2.12235 5.70391 ] [ -1.38217 2.45391 7.73711 ] [ -2.32386 4.34974 -0.0341353 ] [ -2.14732 4.59913 2.85456 ] [ -2.58803 4.49203 5.22398 ] [ -2.53205 4.45019 7.97976 ] [ -3.63337 7.17929 -0.0491028 ] [ -3.89229 6.71793 2.89818 ] [ -3.66413 7.02015 5.09652 ] [ -3.92788 6.93366 8.0512 ] [ 2.45378 0.309373 0.291799 ] [ 2.63293 -0.0916649 2.38171 ] [ 2.30296 -0.201703 4.97556 ] [ 2.76192 -0.281406 7.62532 ] [ 1.31779 2.17407 -0.230385 ] [ 1.52587 2.23453 2.90133 ] [ 1.2551 2.11078 5.57886 ] [ 1.54308 1.87063 7.88471 ] [ -0.135475 4.44987 0.253366 ] [ 0.206692 4.4119 2.48107 ] [ 0.0396793 4.80924 5.07207 ] [ -0.0230702 4.46471 7.99008 ] [ -1.22343 6.87043 0.107938 ] [ -1.45159 6.56532 2.67083 ] [ -1.48914 6.71211 5.58461 ] [ -1.31259 6.65303 7.82887 ] [ 5.36229 -0.201486 0.0779356 ] [ 5.08432 0.160103 3.04183 ] [ 5.04314 -0.419791 4.93253 ] [ 4.97733 -0.124917 7.93817 ] [ 4.07742 2.32906 0.253204 ] [ 3.79674 2.43742 2.78537 ] [ 3.81248 2.52072 5.25869 ] [ 4.0443 1.91504 8.20099 ] [ 2.79101 4.60985 -0.00391354 ] [ 2.79476 4.43142 3.20273 ] [ 2.32095 4.60023 5.44999 ] [ 2.43436 4.156 8.02437 ] [ 1.10367 7.03267 0.475772 ] [ 1.43412 6.61174 2.58351 ] [ 1.56081 6.78949 5.83699 ] [ 1.26983 6.69138 7.94657 ] [ 8.13694 -0.084966 0.0329206 ] [ 7.94829 0.166431 2.88626 ] [ 8.08334 -0.175614 5.07998 ] [ 8.05071 -0.0461084 7.69847 ] [ 6.29462 2.13237 0.227677 ] [ 6.59496 2.14714 2.68125 ] [ 6.5796 2.22172 4.97661 ] [ 6.61546 2.04155 7.94854 ] [ 5.60831 4.89949 0.273056 ] [ 5.31426 4.44385 2.78226 ] [ 5.2365 4.38736 5.62938 ] [ 5.34171 4.237 7.77426 ] [ 3.76471 6.57935 0.297265 ] [ 3.95924 6.9387 3.15334 ] [ 3.93889 6.54727 5.0212 ] [ 3.94816 6.64802 7.82443 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.301919549317899e-17 "source-value" -206.08961 } }