{ "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" [ 10.8361 0 0 ] "si-unit" "m" "si-value" [ 1.08361e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.16509 9.32986 0 ] "si-unit" "m" "si-value" [ -5.16509e-10 9.32986e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.338382 0.285992 10.2675 ] "si-unit" "m" "si-value" [ 3.38382e-11 2.85992e-11 1.02675e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.226915 0.0279141 0.00178709 ] [ 0.00521394 -0.00120898 2.61988 ] [ 0.111086 -0.00441851 5.39688 ] [ -0.00811775 0.00988404 7.76446 ] [ -1.26892 2.00974 -0.128773 ] [ -1.51778 2.36617 2.46995 ] [ -1.29504 2.30049 5.2473 ] [ -1.58222 2.22335 7.67671 ] [ -2.57393 4.57709 0.303636 ] [ -2.71158 4.50657 2.20402 ] [ -2.29766 4.85067 5.36604 ] [ -2.53013 5.02991 7.91092 ] [ -4.04953 6.9583 -0.290266 ] [ -3.92011 6.89235 2.29412 ] [ -3.94024 6.80767 5.1746 ] [ -4.02059 6.91717 8.22515 ] [ 2.55027 0.0107665 0.137903 ] [ 2.73854 0.0758287 2.41415 ] [ 2.88705 0.428661 5.25833 ] [ 2.96792 0.198107 8.129 ] [ 1.17194 2.3249 0.241827 ] [ 1.411 2.209 2.91902 ] [ 1.2891 1.94714 4.88894 ] [ 1.29288 2.19289 7.8659 ] [ 0.00639291 4.77216 0.0234148 ] [ -0.0213263 4.6438 2.62467 ] [ -0.236535 4.59722 5.02665 ] [ 0.0198478 4.59769 7.81845 ] [ -1.31921 6.83806 0.0664341 ] [ -1.28766 6.8641 2.75104 ] [ -1.23014 7.04914 5.08588 ] [ -1.40792 7.24847 7.99066 ] [ 5.56053 0.0385699 0.241581 ] [ 5.15835 0.216277 2.54291 ] [ 5.29544 0.000750747 5.09452 ] [ 5.36985 0.0699487 7.97644 ] [ 4.01598 2.01186 -0.260287 ] [ 4.01533 2.24671 2.48669 ] [ 3.98846 2.29098 4.91301 ] [ 4.10827 2.29632 7.85242 ] [ 2.56747 4.49522 -0.138841 ] [ 2.86035 4.53832 2.45489 ] [ 2.68672 4.96676 5.26116 ] [ 2.68347 4.4963 7.37849 ] [ 1.31877 6.83213 0.0410508 ] [ 1.66677 6.5533 2.52828 ] [ 1.32642 6.86023 5.17956 ] [ 1.00003 7.08995 7.7783 ] [ 7.8962 0.0196713 0.322052 ] [ 7.8775 -0.259473 2.75098 ] [ 7.6397 0.0359307 5.05376 ] [ 7.97203 0.0567385 7.89895 ] [ 6.56802 2.27165 -0.144672 ] [ 6.42437 2.2899 2.41541 ] [ 6.57384 2.26553 5.04812 ] [ 6.62454 2.30565 7.76409 ] [ 5.0871 4.70438 -0.418777 ] [ 5.46675 4.43674 2.45804 ] [ 5.64549 4.39342 5.3916 ] [ 5.30187 4.59667 7.61215 ] [ 3.96645 6.8464 -0.0435212 ] [ 4.05575 6.85317 2.31994 ] [ 4.07639 6.7929 5.46762 ] [ 3.90254 6.79284 7.72497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.26915e-11 2.79141e-12 1.78709e-13 ] [ 5.21394e-13 -1.20898e-13 2.6198800000000003e-10 ] [ 1.11086e-11 -4.41851e-13 5.39688e-10 ] [ -8.11775e-13 9.88404e-13 7.76446e-10 ] [ -1.26892e-10 2.00974e-10 -1.28773e-11 ] [ -1.51778e-10 2.36617e-10 2.46995e-10 ] [ -1.29504e-10 2.30049e-10 5.2473e-10 ] [ -1.5822200000000001e-10 2.2233500000000001e-10 7.67671e-10 ] [ -2.57393e-10 4.57709e-10 3.03636e-11 ] [ -2.71158e-10 4.50657e-10 2.20402e-10 ] [ -2.2976600000000002e-10 4.85067e-10 5.36604e-10 ] [ -2.53013e-10 5.02991e-10 7.91092e-10 ] [ -4.04953e-10 6.958300000000001e-10 -2.9026600000000004e-11 ] [ -3.9201100000000003e-10 6.89235e-10 2.29412e-10 ] [ -3.9402400000000003e-10 6.80767e-10 5.1746e-10 ] [ -4.0205900000000005e-10 6.917169999999999e-10 8.225149999999999e-10 ] [ 2.5502699999999997e-10 1.07665e-12 1.37903e-11 ] [ 2.73854e-10 7.58287e-12 2.41415e-10 ] [ 2.88705e-10 4.28661e-11 5.258330000000001e-10 ] [ 2.96792e-10 1.98107e-11 8.129e-10 ] [ 1.17194e-10 2.3249000000000002e-10 2.41827e-11 ] [ 1.411e-10 2.209e-10 2.91902e-10 ] [ 1.2891e-10 1.9471400000000003e-10 4.88894e-10 ] [ 1.29288e-10 2.19289e-10 7.8659e-10 ] [ 6.39291e-13 4.772160000000001e-10 2.3414800000000002e-12 ] [ -2.13263e-12 4.6438e-10 2.62467e-10 ] [ -2.36535e-11 4.59722e-10 5.02665e-10 ] [ 1.98478e-12 4.59769e-10 7.818450000000001e-10 ] [ -1.31921e-10 6.83806e-10 6.64341e-12 ] [ -1.28766e-10 6.8641e-10 2.7510400000000005e-10 ] [ -1.23014e-10 7.04914e-10 5.085880000000001e-10 ] [ -1.40792e-10 7.24847e-10 7.990660000000001e-10 ] [ 5.56053e-10 3.85699e-12 2.41581e-11 ] [ 5.158350000000001e-10 2.16277e-11 2.54291e-10 ] [ 5.29544e-10 7.50747e-14 5.094520000000001e-10 ] [ 5.36985e-10 6.994870000000001e-12 7.976440000000001e-10 ] [ 4.01598e-10 2.01186e-10 -2.60287e-11 ] [ 4.01533e-10 2.2467100000000002e-10 2.4866899999999997e-10 ] [ 3.98846e-10 2.29098e-10 4.91301e-10 ] [ 4.1082700000000004e-10 2.2963200000000003e-10 7.852420000000001e-10 ] [ 2.5674700000000004e-10 4.49522e-10 -1.38841e-11 ] [ 2.86035e-10 4.53832e-10 2.45489e-10 ] [ 2.6867200000000003e-10 4.966760000000001e-10 5.26116e-10 ] [ 2.68347e-10 4.4963e-10 7.378490000000001e-10 ] [ 1.3187700000000001e-10 6.832130000000001e-10 4.10508e-12 ] [ 1.66677e-10 6.553300000000001e-10 2.5282800000000003e-10 ] [ 1.32642e-10 6.86023e-10 5.179560000000001e-10 ] [ 1.00003e-10 7.08995e-10 7.7783e-10 ] [ 7.896200000000001e-10 1.96713e-12 3.22052e-11 ] [ 7.877500000000001e-10 -2.59473e-11 2.7509800000000005e-10 ] [ 7.639700000000001e-10 3.5930700000000006e-12 5.053759999999999e-10 ] [ 7.97203e-10 5.67385e-12 7.898950000000001e-10 ] [ 6.56802e-10 2.2716500000000004e-10 -1.44672e-11 ] [ 6.42437e-10 2.2899e-10 2.4154100000000003e-10 ] [ 6.57384e-10 2.26553e-10 5.048120000000001e-10 ] [ 6.62454e-10 2.30565e-10 7.764090000000001e-10 ] [ 5.087100000000001e-10 4.70438e-10 -4.1877700000000005e-11 ] [ 5.466750000000001e-10 4.4367400000000006e-10 2.45804e-10 ] [ 5.64549e-10 4.39342e-10 5.3916e-10 ] [ 5.30187e-10 4.59667e-10 7.61215e-10 ] [ 3.9664500000000003e-10 6.8464e-10 -4.352120000000001e-12 ] [ 4.0557499999999997e-10 6.85317e-10 2.31994e-10 ] [ 4.07639e-10 6.7929e-10 5.46762e-10 ] [ 3.90254e-10 6.79284e-10 7.72497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2693549 -2.1828561 1.1066249 ] [ -2.1759374 -1.6839122 0.5453943 ] [ -1.9888546 -3.9545631 -0.7731721 ] [ -1.4879019 -1.4475226 -0.4598609 ] [ -2.4926284 1.2496221 0.2911238 ] [ 0.1137794 -2.4791668 1.0546203 ] [ -2.2018302 -1.5108892 -0.8447059 ] [ 0.3080933 1.1932297 0.0697972 ] [ -0.8398639 -1.8977946 -8.7888856 ] [ -1.9457528 0.3595198999999999 8.9417773 ] [ -7.0615789 -1.3652544 1.6179893 ] [ -0.1983207 -4.1694578 -1.8123483 ] [ 0.5740628 1.3284527999999998 12.4681179 ] [ -1.1661744 0.26704849999999997 2.7389422 ] [ -1.4028475 1.2801576 -1.1431303 ] [ -4.2189922 -0.4968875999999999 -13.1384799 ] [ 1.5695828 -1.4201744 1.8697274 ] [ -2.1094959 -4.5721252 1.8460494 ] [ -1.2269298 -7.7331165 3.8088405 ] [ -3.8109222 -1.1622629 -5.2479151 ] [ 0.8459667 2.6785805 0.6039154 ] [ -2.132088 3.3616495 -7.5106922 ] [ -3.2718398 4.4673963 6.9338873 ] [ -0.5759972 1.8828381 -1.3220721 ] [ -0.002568 -3.3514211 -0.6026729 ] [ 0.7474449 -1.8817333 -0.2209947 ] [ 6.4188148 -1.7299322 0.6218946 ] [ 0.7294496 -1.1492644 -0.7235164 ] [ -0.0589899 2.6476324 2.5246958 ] [ -0.6194118 2.0019163 -1.039903 ] [ -1.2115889 2.9765021 1.374182 ] [ -0.0043117 -0.6523497 -3.7360188 ] [ -1.1129949 -4.2127463 -0.617542 ] [ 2.1423576 -6.6727042 1.6217009 ] [ 0.0378837 -2.4168034 1.5261669 ] [ 2.937157 -1.1855364 -2.4905159 ] [ -1.5370398 3.6085258 4.8328631 ] [ -2.959955 4.4445365 -1.3391804 ] [ 1.3158883 5.9094675 1.8463925 ] [ -2.5214443 2.8008567 -5.6512624 ] [ 0.2467192 -1.343969 0.1242433 ] [ 0.2698952 -2.3123171 0.6467369 ] [ -0.3002918 -4.2965544 -4.7481829 ] [ -2.40705 -1.9764114 3.6860471 ] [ 0.9543031 2.1139602 -0.6465649 ] [ -3.0034686 2.9248784 1.5056066 ] [ -1.0997613 2.1865701 -0.1061883 ] [ 3.0622077 -1.4691859 -1.140591 ] [ 3.8342826 -0.7474042 -1.1215684 ] [ 2.1788079 0.2408827 -0.0438675 ] [ 4.4511019 -1.319869 1.9243362 ] [ 2.0002041 -2.3238916 -0.8332294 ] [ 3.0225058 3.8537072 0.7346053 ] [ 6.0261822 0.90087 0.8648785 ] [ 3.5203035 0.9933226 0.2603883 ] [ 3.0114306 1.7015202 -2.9420678 ] [ 2.025145 -1.5978199 4.3389813 ] [ 0.1430167 4.1631745 0.7192024 ] [ 0.9157953 3.1147845 -3.6464409 ] [ 1.7475707 0.1231293 -0.6748693 ] [ -0.2271903 3.0562287 -0.1169643 ] [ 4.0148607 1.604804 2.0054484 ] [ 3.4048157 3.736331 -3.4250307 ] [ -0.9262519 3.5438015 1.8532572 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.840260606677922e-09 -3.497321009990667e-09 1.7730085427751378e-09 ] [ -3.486236030604338e-09 -2.697924758319894e-09 8.738179965775814e-10 ] [ -3.186496342290536e-09 -6.3359085442983725e-09 -1.2387582624748397e-09 ] [ -2.3838816382238994e-09 -2.31918686779963e-09 -7.367783828000467e-10 ] [ -3.993630946822111e-09 2.002115313455e-09 4.66431746118455e-10 ] [ 1.8229469460865152e-10 -3.97206308602355e-09 1.6896879884810825e-09 ] [ -3.527720869411388e-09 -2.4207113528592156e-09 -1.3533680444318228e-09 ] [ 4.936198822851206e-10 1.911764728584198e-09 1.1182744203730177e-10 ] [ -1.3456103052339092e-09 -3.040602139200488e-09 -1.4081347031205781e-08 ] [ -3.1174396460161384e-09 5.760143784923538e-10 1.4326306538460149e-08 ] [ -1.1313896619514582e-08 -2.1873786811243315e-09 2.5923046291645575e-09 ] [ -3.1774478896069054e-10 -6.680207808572203e-09 -2.903702075006625e-09 ] [ 9.197499970309862e-10 2.128416017996298e-09 1.9976127004757993e-08 ] [ -1.8684173594554677e-09 4.2785886331970875e-10 4.388269158562518e-09 ] [ -2.247609467047728e-09 2.051038577659438e-09 -1.8314966411880901e-09 ] [ -6.759570666177558e-09 -7.961016958854219e-10 -2.1050165328630724e-08 ] [ 2.5147488665698023e-09 -2.275370221138668e-09 2.99563352754917e-09 ] [ -3.379785012653455e-09 -7.325352102810525e-09 2.9576971895218676e-09 ] [ -1.9657582409228197e-09 -1.2389818462222725e-08 6.102435201456182e-09 ] [ -6.105770452527702e-09 -1.8621504456032083e-09 -8.408086881163295e-09 ] [ 1.3553880687153274e-09 4.291559054030774e-09 9.675791348210803e-10 ] [ -3.4159815470882305e-09 5.3859562362240095e-09 -1.203345544886492e-08 ] [ -5.242065234562948e-09 7.157557907708423e-09 1.1109312123322037e-08 ] [ -9.228492474862618e-10 3.0166391845714928e-09 -2.1181930096319597e-09 ] [ -4.1143895622144e-12 -5.3695685328758195e-09 -9.655884303697363e-10 ] [ 1.197538744116194e-09 -3.0148690998408327e-09 -3.540725416607098e-10 ] [ 1.0284075005805028e-08 -2.77165692640911e-09 9.963849887217676e-10 ] [ 1.1687070951719117e-09 -1.8413245527977397e-09 -1.1592010608453811e-09 ] [ -9.451223864332992e-11 4.2419747317525945e-09 4.0450085853919526e-09 ] [ -9.924071046076454e-10 3.207423492658439e-09 -1.6661082744997824e-09 ] [ -1.941179409600789e-09 4.7688820763821034e-09 2.2016822731241857e-09 ] [ -6.90810493590336e-12 -1.045179437925894e-09 -5.985761976229271e-09 ] [ -1.7832144078496339e-09 -6.749563631221703e-09 -9.894113547620736e-10 ] [ 3.432435260113198e-09 -1.0690850666753968e-08 2.5982512679103187e-09 ] [ 6.069637844940096e-11 -3.872145904549951e-09 2.4451889266188115e-09 ] [ 4.705844277019066e-09 -1.899438703187397e-09 -3.990246348710671e-09 ] [ -2.462609232799108e-09 5.781495672313616e-09 7.743100270347013e-09 ] [ -4.742370699620064e-09 7.120932470592259e-09 -2.1456035279135923e-09 ] [ 2.1082854698442566e-09 9.468010669877425e-09 2.958246896320464e-09 ] [ -4.039799108109422e-09 4.48746712295104e-09 -9.054320495286099e-09 ] [ 3.9528773414247936e-10 -2.153275710879955e-09 1.9905971055104064e-10 ] [ 4.324197795061402e-10 -3.704740397496056e-09 1.0361867409886674e-09 ] [ -4.811205013779495e-10 -6.883839009675372e-09 -7.607427633662344e-09 ] [ -3.85651923509664e-09 -3.166560138162597e-09 5.90569848678764e-09 ] [ 1.5289621159769645e-09 3.3869376097416924e-09 -1.03591116660989e-09 ] [ -4.812087172226907e-09 4.686171791162911e-09 2.4122476946421774e-09 ] [ -1.762011843320615e-09 3.503271493960318e-09 -1.7013241166249664e-10 ] [ 4.90619758497374e-09 -2.353895300589007e-09 -1.8274282340948926e-09 ] [ 6.143197939260238e-09 -1.1974735355277273e-09 -1.7969506691080627e-09 ] [ 3.490835078594344e-09 3.8593663029518017e-10 -7.0283482912944e-11 ] [ 7.131451400978461e-09 -2.1146632543186753e-09 3.0831264701991128e-09 ] [ 3.2046802458483055e-09 -3.7232847907935057e-09 -1.3349806644432115e-09 ] [ 4.8425881289924e-09 6.1743195792486305e-09 1.1769674371757704e-09 ] [ 9.655008233521111e-09 1.443352852380096e-09 1.385688112532573e-09 ] [ 5.640147965820413e-09 1.5914782466322702e-09 4.1718804658985666e-10 ] [ 4.824843702481717e-09 2.7261358842589405e-09 -4.71371224596849e-09 ] [ 3.2446399727300163e-09 -2.559989688028994e-09 6.951814396948392e-09 ] [ 2.2913801312396737e-10 6.67014085221073e-09 1.15228927090325e-09 ] [ 1.4672658190985223e-09 4.9904349047302175e-09 -5.842242359108911e-09 ] [ 2.7999169187350906e-09 1.9727488579546943e-10 -1.0812598145556615e-09 ] [ -3.6399898713253827e-10 4.896618170957977e-09 -1.8739746692823744e-10 ] [ 6.432515949308723e-09 2.571179449766323e-09 3.213082540700767e-09 ] [ 5.455116112672786e-09 5.986262175770285e-09 -5.487504113062259e-09 ] [ -1.4840191391515796e-09 5.677795912055971e-09 2.96924535816927e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -240.4506 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.852443297773325e-17 } }