{ "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" [ 10.7144 0 0 ] "si-unit" "m" "si-value" [ 1.07144e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.09399 9.66634 0 ] "si-unit" "m" "si-value" [ -5.09399e-10 9.66634e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0584924 -0.0611089 10.7553 ] "si-unit" "m" "si-value" [ -5.84924e-12 -6.11089e-12 1.07553e-09 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.6527046 -3.5591646 -0.203273 ] [ 0.6115076 0.0433531 -1.8368152 ] [ -0.0230641 0.52341 -0.4120199 ] [ 2.7180382 1.9265897 3.6622203 ] [ -1.5185981 -2.701438 1.0220395 ] [ 2.1102462 -0.9994937 -0.0989427 ] [ 1.7824538 1.3044724 -1.5454727 ] [ -0.0699641 -2.9066565 1.1609464 ] [ -2.646209 -0.0215355 -1.9832148 ] [ -1.8352326 -3.7875276 -0.1962681 ] [ -2.4399581 -1.4943235 0.1236283 ] [ -4.1497243 2.6783971 2.0233766 ] [ -2.5447681 1.2415198 -0.5086135 ] [ -3.2086432 1.0969968 -2.4666865 ] [ -2.4874027 1.7784064 1.9505362 ] [ -1.1646813 1.5484969 1.9230634 ] [ 4.1605389 -2.0041724 -0.2218201 ] [ -0.549685 -1.5440616 0.5944303 ] [ 1.8689663 -0.0954673 1.1857444 ] [ -1.7438368 -7.01322 -1.5962518 ] [ -3.3308835 3.7668917 -1.8947706 ] [ -4.3276455 -4.7391736 0.0797376 ] [ -1.0491995 0.9921087 -2.2469297 ] [ -0.8949177 -0.2205615 2.3455044 ] [ 5.0916941 2.7560781 -1.6581642 ] [ 2.763592 -2.0884924 1.1257173 ] [ -2.5921734 -4.0089576 -0.8688327 ] [ 2.6075259 -0.5844346 0.9025706 ] [ -2.5091787 -1.0242823 -0.8885284 ] [ -0.4203764 5.6513058 0.154837 ] [ 2.8495247 2.4070208 -1.0471095 ] [ -1.8057681 1.8318708 1.8773667 ] [ 1.9698432 -2.4821165 -1.2237422 ] [ -0.8163114 -1.5473295 1.7501029 ] [ -0.1203657 -0.1396667 -0.4487401 ] [ 3.0137901 -1.2894576 -0.0753298 ] [ -3.1271437 0.3675479 -0.5979685 ] [ 3.2036379 -2.5514455 -1.942162 ] [ -0.1344427 -1.1298449 1.7817941 ] [ 2.3007782 5.4676569 2.0829196 ] [ -3.0134226 -3.5062634 -1.9845064 ] [ -1.0774134 5.3597053 -0.7633025 ] [ 1.9187688 -2.0048609 1.1793603 ] [ 1.661876 2.0822624 1.4962653 ] [ 2.1013802 1.2249418 -1.9258608 ] [ -0.1877107 1.04594 1.0373944 ] [ -0.7760635 4.6665432 -1.2907867 ] [ -1.1840228 0.5754816 3.2538684 ] [ -1.4350378 -0.1919363 -0.2513313 ] [ 0.98322 -2.4445313 -4.1695343 ] [ -0.7946333 -2.0944184 2.6391284 ] [ -0.1678782 -3.8392975 1.4190609 ] [ 2.7036585 0.0465263 -1.3289459 ] [ -0.0770541 1.6197811 -2.4612807 ] [ 0.1035929 0.5576291 3.5110095 ] [ 0.7004056 -0.3373304 0.3748777 ] [ 2.8137482 0.955307 0.0993171 ] [ 3.0055991 1.7556897 -1.5897077 ] [ 2.8620945 0.5213244 -1.6525296 ] [ 0.1411255 1.6191746 1.5531862 ] [ 0.9683463 2.9620303 -0.7895209 ] [ -0.2349045 -0.8063389 3.9245439 ] [ 0.8025607 1.5022776 -4.7733392 ] [ -1.7074944 1.2810632 0.7077541 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.647924671208616e-09 -5.702410311698984e-09 -3.2567924823987843e-10 ] [ 9.797431801615183e-10 6.945932325920448e-11 -2.942902370170076e-09 ] [ -3.695276179979328e-11 8.385952650929281e-10 -6.601286510843539e-10 ] [ 4.3547772584813145e-09 3.086736975214086e-09 5.867523744879163e-09 ] [ -2.4330623722113006e-09 -4.328180806140711e-09 1.6374877924341216e-09 ] [ 3.3809871257720414e-09 -1.6013654387768892e-09 -1.5852368073882815e-10 ] [ 2.855805806016119e-09 2.089995181758866e-09 -2.476120228024652e-09 ] [ -1.1209484531531328e-10 -4.6569770889963555e-09 1.8600411800819252e-09 ] [ -4.239694193550547e-09 -3.45036746172384e-11 -3.177460386584548e-09 ] [ -2.9403667654499985e-09 -6.068288171354735e-09 -3.144561612288365e-10 ] [ -3.9092438235515886e-09 -2.3941701756120287e-09 1.9807437192924864e-10 ] [ -6.648591256225646e-09 4.29126521483852e-09 3.241806683593794e-09 ] [ -4.077167955177637e-09 1.989133997820292e-09 -8.148886587232609e-10 ] [ -5.140813119528899e-09 1.7575826260524137e-09 -3.952067441142979e-09 ] [ -3.985258452454796e-09 2.849321156361093e-09 3.125103497664073e-09 ] [ -1.866025149542951e-09 2.4809655305612757e-09 3.081087219796159e-09 ] [ 6.665918155508949e-09 -3.2110381633326257e-09 -3.5539497824351806e-10 ] [ -8.80692455804448e-10 -2.4738593965950415e-09 9.523823293551302e-10 ] [ 2.994414110923079e-09 -1.5295547611089985e-10 1.8997719559245233e-09 ] [ -2.7939345514506857e-09 -1.1236417120526976e-08 -2.557477314869918e-09 ] [ -5.336663670308477e-09 6.035225814825567e-09 -3.0357571570991885e-09 ] [ -6.9336524432103265e-09 -7.59299314383257e-09 1.277537185187021e-10 ] [ -1.6810029094550497e-09 1.589533364432281e-09 -3.599978233921158e-09 ] [ -1.4338162164801083e-09 -3.533784787485792e-10 3.757912313663531e-09 ] [ 8.157793247285298e-09 4.415723896918885e-09 -2.6566719146875355e-09 ] [ 4.4277624918299135e-09 -3.3461336959984818e-09 1.8035979396900999e-09 ] [ -4.153119618539647e-09 -6.4230581404984776e-09 -1.3920234393265403e-09 ] [ 4.1777170351104795e-09 -9.363674525065998e-10 1.4460775139414285e-09 ] [ -4.020147450549337e-09 -1.6410811541592521e-09 -1.4235794293968308e-09 ] [ -6.735172400160691e-10 9.054390029751441e-09 2.480762214348096e-10 ] [ 4.565441854732134e-09 3.856472451539313e-09 -1.6776543603175775e-09 ] [ -2.893159432406437e-09 2.9349805680861927e-09 3.0078730354084476e-09 ] [ 3.1560367216818584e-09 -3.976789026401923e-09 -1.960651142726358e-09 ] [ -1.3078750403725171e-09 -2.4790951495741537e-09 2.8039739503742804e-09 ] [ -1.9284711048622657e-10 -2.2377072144428738e-10 -7.189608970354541e-10 ] [ 4.8286240382184945e-09 -2.065938820232878e-09 -1.2069164440953985e-10 ] [ -5.010236526022009e-09 5.888766524041363e-10 -9.58051150674845e-10 ] [ 5.132793744888809e-09 -4.087866329345367e-09 -3.1116865502061696e-09 ] [ -2.1540095077722818e-10 -1.810211083910114e-09 2.8547488500993774e-09 ] [ 3.6862530416863066e-09 8.760152055735803e-09 3.3372050861260875e-09 ] [ -4.8280352383103505e-09 -5.6176532458467184e-09 -3.1795297579079732e-09 ] [ -1.7262065604166386e-09 8.587194526037851e-09 -1.222945420098192e-09 ] [ 3.074206512080471e-09 -3.212141261936047e-09 1.8895435001596743e-09 ] [ 2.662618873868621e-09 3.3361521356508977e-09 2.397281282174298e-09 ] [ 3.3667822278520283e-09 1.9625731138006697e-09 -3.0855691486751845e-09 ] [ -3.007456950140026e-10 1.6757806147595522e-09 1.6620890542288435e-09 ] [ -1.243390795956221e-09 7.476626414993217e-09 -2.0680682731795832e-09 ] [ -1.897013648654154e-09 9.220231652205773e-10 5.2132718776399026e-09 ] [ -2.2991840131242663e-09 -3.0751585254285506e-10 -4.02677132935271e-10 ] [ 1.575292097102976e-09 -3.916570897673831e-09 -6.680330375083693e-09 ] [ -1.2731428953691527e-09 -3.3556281946533425e-09 4.2283498217693114e-09 ] [ -2.6897052718198656e-10 -6.151232694795888e-09 2.2735861974714067e-09 ] [ 4.331738439327197e-09 7.454335011232705e-11 -2.129206051288015e-09 ] [ -1.2345427755678528e-10 2.595175409233707e-09 -3.9434063947662585e-09 ] [ 1.6597412246087232e-10 8.934203070977452e-10 5.625257336306698e-09 ] [ 1.1221734773973964e-09 -5.404628803651123e-10 6.006202865992761e-10 ] [ 4.508121582858083e-09 1.5305705410865856e-09 1.591235356656557e-10 ] [ 4.8155006095175215e-09 2.812924990719366e-09 -2.54699251084574e-09 ] [ 4.585580894420266e-09 8.352537655325876e-10 -2.647644290299976e-09 ] [ 2.261079766987104e-10 2.5942036891131918e-09 2.488478617389193e-09 ] [ 1.551461802698183e-09 4.7456956967612104e-09 -1.2649519276129747e-09 ] [ -3.763584980207136e-10 -1.2918973340215891e-09 6.287812483883254e-09 ] [ 1.2858439903128827e-09 2.4069140486715342e-09 -7.647732469388176e-09 ] [ -2.735707607826924e-09 2.0524895088072344e-09 1.1339470722953453e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.78577 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.50533445657726e-17 } }