{ "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" [ 10.7570093 0 0 ] "si-unit" "m" "si-value" [ 1.07570093e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7570093 0 ] "si-unit" "m" "si-value" [ 0.0 1.07570093e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7570093 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07570093e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.4385013 1.2675793 0.3893908 ] [ 4.7223243 2.0636923 0.9349565 ] [ 3.3834593 0.04377832 0.5806305 ] [ 1.5880733 3.4586803 1.3455793 ] [ 3.7096883 4.2277123 0.7203531 ] [ 2.7625103 0.7731921 3.9205343 ] [ 0.5429148 4.1515883 4.5102743 ] [ 2.3737913 3.0969483 3.5094933 ] [ 4.1708353 4.3775113 4.2982313 ] [ 0.5639486 2.6948963 6.3091183 ] [ 2.7584533 1.6969463 6.0967323 ] [ 4.927674300000001 2.7490763 5.8122583 ] [ 1.8827633 2.3893673 9.1260853 ] [ 1.0335103 5.1891523 8.8679963 ] [ 4.1966953 3.0534693 9.4718723 ] [ 0.2694268 5.4608953 1.6023983 ] [ 4.8820523 6.2803973 0.3742975 ] [ 2.0617503 8.8550703 0.4747595999999999 ] [ 3.8451633 7.9216563 1.5941203 ] [ 1.2732303 6.2682153 5.2907613 ] [ 4.175539300000001 7.7863623 3.8662423 ] [ 1.7772343 8.1723283 3.9828413 ] [ 0.8584466 10.3462793 4.5969493 ] [ 4.2706793 9.9314023 4.8770183 ] [ 0.04399472 6.6105003 7.2449793 ] [ 3.1603923 5.3478023 6.2162473 ] [ 4.9877063 6.7169553 6.7534893 ] [ 2.3363293 9.1927443 6.0358203 ] [ 0.7217219 8.8519663 7.8354983 ] [ 5.0272563 7.4111563 9.0174363 ] [ -0.03409687 8.7572203 10.1595093 ] [ 3.8729703 10.6636993 9.0383823 ] [ 2.9319113 8.5005703 9.0810683 ] [ 7.1648843 2.3524193 1.5976323 ] [ 9.2021943 1.7784773 2.7872753 ] [ 10.1390793 0.0910356 0.1938382 ] [ 7.8843933 4.3155963 0.2359658 ] [ 6.4157073 0.9791643 3.4070083 ] [ 7.2100913 2.2274973 5.2010583 ] [ 7.883055300000001 4.3359153 4.4178583 ] [ 6.1213403 4.1664113 2.8934593 ] [ 9.6213283 4.0546093 2.8895173 ] [ 9.2715983 1.3179283 6.1574033 ] [ 5.9512883 4.5845393 6.9338073 ] [ 7.987948299999999 5.2644653 7.8274843 ] [ 9.3323953 3.3342493 7.4925663 ] [ 5.8329373 1.1666843 9.7058743 ] [ 7.5608043 0.7389511 7.9889683 ] [ 6.3107123 4.2462273 9.2231233 ] [ 10.5161193 3.3630173 9.4832973 ] [ 6.8519103 5.9672363 1.6014323 ] [ 9.8648173 7.3519673 2.4963113 ] [ 7.017440300000001 10.6962293 1.4150243 ] [ 8.8271853 8.2873163 0.6375625 ] [ 8.3711163 9.2639883 2.7619623 ] [ 10.3735793 10.5271393 2.5196753 ] [ 6.5086783 7.7129133 3.1985103 ] [ 6.9361423 7.2180833 5.4520133 ] [ 8.8934953 6.0026633 5.8035263 ] [ 7.8230973 9.3281173 5.6068433 ] [ 5.9704623 10.3780093 6.558647300000001 ] [ 9.2496993 9.9288763 7.3272973 ] [ 9.9134733 5.4848903 10.3263093 ] [ 6.0304723 9.6156903 8.8397153 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4385013e-10 1.2675793e-10 3.893908e-11 ] [ 4.722324300000001e-10 2.0636923000000001e-10 9.349565e-11 ] [ 3.3834593000000004e-10 4.377832e-12 5.806305000000001e-11 ] [ 1.5880733000000001e-10 3.4586803000000003e-10 1.3455793e-10 ] [ 3.7096883e-10 4.2277123000000003e-10 7.203531e-11 ] [ 2.7625103000000004e-10 7.731921000000001e-11 3.9205343e-10 ] [ 5.429148e-11 4.1515883000000005e-10 4.5102743e-10 ] [ 2.3737913e-10 3.0969483000000005e-10 3.5094933000000003e-10 ] [ 4.1708353000000003e-10 4.3775113000000003e-10 4.2982313000000006e-10 ] [ 5.6394860000000006e-11 2.6948963e-10 6.3091183e-10 ] [ 2.7584533e-10 1.6969463e-10 6.0967323e-10 ] [ 4.927674300000002e-10 2.7490763e-10 5.8122583e-10 ] [ 1.8827633e-10 2.3893673e-10 9.1260853e-10 ] [ 1.0335103000000001e-10 5.189152300000001e-10 8.8679963e-10 ] [ 4.1966953000000004e-10 3.0534693e-10 9.4718723e-10 ] [ 2.6942680000000002e-11 5.4608953e-10 1.6023983e-10 ] [ 4.8820523e-10 6.2803973e-10 3.7429750000000005e-11 ] [ 2.0617503e-10 8.8550703e-10 4.747595999999999e-11 ] [ 3.8451633e-10 7.9216563e-10 1.5941203e-10 ] [ 1.2732303e-10 6.2682153e-10 5.2907613e-10 ] [ 4.1755393000000016e-10 7.786362300000001e-10 3.8662423000000003e-10 ] [ 1.7772343e-10 8.172328300000001e-10 3.9828413000000004e-10 ] [ 8.584466e-11 1.03462793e-09 4.5969493000000003e-10 ] [ 4.2706793000000004e-10 9.931402300000001e-10 4.8770183e-10 ] [ 4.399472e-12 6.6105003e-10 7.2449793e-10 ] [ 3.1603923e-10 5.3478023e-10 6.2162473e-10 ] [ 4.9877063e-10 6.716955300000001e-10 6.7534893e-10 ] [ 2.3363293e-10 9.1927443e-10 6.0358203e-10 ] [ 7.217219e-11 8.851966300000001e-10 7.8354983e-10 ] [ 5.027256300000001e-10 7.4111563e-10 9.017436300000001e-10 ] [ -3.409687e-12 8.757220300000001e-10 1.01595093e-09 ] [ 3.8729703e-10 1.06636993e-09 9.0383823e-10 ] [ 2.9319113e-10 8.5005703e-10 9.0810683e-10 ] [ 7.1648843e-10 2.3524193e-10 1.5976323e-10 ] [ 9.202194300000001e-10 1.7784773e-10 2.7872753000000004e-10 ] [ 1.0139079300000002e-09 9.10356e-12 1.938382e-11 ] [ 7.8843933e-10 4.3155963e-10 2.359658e-11 ] [ 6.4157073e-10 9.791643e-11 3.4070083000000005e-10 ] [ 7.2100913e-10 2.2274973000000002e-10 5.2010583e-10 ] [ 7.883055300000002e-10 4.3359153e-10 4.4178583e-10 ] [ 6.1213403e-10 4.1664113000000004e-10 2.8934593e-10 ] [ 9.6213283e-10 4.0546093e-10 2.8895173e-10 ] [ 9.271598300000001e-10 1.3179283e-10 6.1574033e-10 ] [ 5.951288300000001e-10 4.5845393000000004e-10 6.9338073e-10 ] [ 7.9879483e-10 5.2644653e-10 7.8274843e-10 ] [ 9.3323953e-10 3.3342493e-10 7.4925663e-10 ] [ 5.8329373e-10 1.1666843e-10 9.7058743e-10 ] [ 7.5608043e-10 7.389511e-11 7.9889683e-10 ] [ 6.3107123e-10 4.2462273000000004e-10 9.223123299999999e-10 ] [ 1.05161193e-09 3.3630173e-10 9.4832973e-10 ] [ 6.8519103e-10 5.9672363e-10 1.6014323e-10 ] [ 9.864817300000001e-10 7.3519673e-10 2.4963113e-10 ] [ 7.017440300000002e-10 1.06962293e-09 1.4150243e-10 ] [ 8.8271853e-10 8.287316300000001e-10 6.375625e-11 ] [ 8.3711163e-10 9.2639883e-10 2.7619623e-10 ] [ 1.03735793e-09 1.0527139300000001e-09 2.5196753e-10 ] [ 6.5086783e-10 7.712913300000001e-10 3.1985103e-10 ] [ 6.936142300000001e-10 7.2180833e-10 5.4520133e-10 ] [ 8.8934953e-10 6.0026633e-10 5.8035263e-10 ] [ 7.8230973e-10 9.3281173e-10 5.6068433e-10 ] [ 5.970462300000001e-10 1.03780093e-09 6.558647300000001e-10 ] [ 9.2496993e-10 9.9288763e-10 7.327297299999999e-10 ] [ 9.9134733e-10 5.484890300000001e-10 1.03263093e-09 ] [ 6.0304723e-10 9.6156903e-10 8.8397153e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9629978 -0.5995593 0.1374544 ] [ 0.2522641 0.0828491 -0.8196151 ] [ -0.2262985 0.0994724 -1.1622833 ] [ -0.4397414 -0.6690997 -0.2962241 ] [ -0.4116576 -0.3650463 0.4881668 ] [ -0.2842808 -0.6338495 -0.3155568 ] [ -0.6100159 0.0273072 -1.050893 ] [ -0.1325424 -0.1013292 0.0953205 ] [ -0.5706641 0.5485071 0.3296525 ] [ -0.1833162 0.4089246 0.2742107 ] [ -0.0901143 -0.4456771 -0.6620933 ] [ -0.0350927 -0.1986688 -0.0487471 ] [ -0.7124939 -0.3563444 1.1944986 ] [ -0.465521 -0.2306008 0.44958 ] [ 0.3936888 -0.6153806 0.5644226 ] [ 0.5530077 0.1868201 -0.1986821 ] [ -0.4261682 0.3837629 -0.1821713 ] [ 0.0307171 0.9228701 -0.1858111 ] [ 0.2769531 -0.254792 -0.2043059 ] [ 0.6035895 0.3037266 0.1253419 ] [ -0.2385162 -0.4087935 0.1712521 ] [ 1.2232183 1.1373348 0.8208756 ] [ 1.2896802 -0.0500202 0.7496103 ] [ -1.1293526 -0.4755002 -0.4167748 ] [ -0.168861 -0.4632041 0.3004641 ] [ -1.1189752 0.0552018 0.1653597 ] [ -0.0988884 0.1546817 0.3460659 ] [ 0.4944916 -0.0180778 -1.9034304 ] [ -0.1979153 0.667141 0.2004729 ] [ 0.5331969 0.0115876 0.1322396 ] [ 0.133442 0.2689991 0.3517047 ] [ -0.2035964 -0.466699 0.6648452 ] [ 0.850571 -0.0961056 1.528376 ] [ -0.2638632 0.0077257 0.3749293 ] [ 0.4089927 0.538018 0.9806511 ] [ 0.2898926 -0.2930114 -0.614014 ] [ 0.2656259 0.2232027 0.1655843 ] [ 0.0433969 0.9760272 -0.3693193 ] [ -0.0669259 -0.5791805 -0.0577683 ] [ 0.2148497 -0.2520578 -0.6472473 ] [ 0.8100606 -0.5360466 -1.0814135 ] [ -0.3990743 -0.0655501 -0.882404 ] [ -0.2818659 -0.5194957 -0.6361797 ] [ 0.8910679 0.2645999 0.1036404 ] [ -0.9840295 0.4600396 0.0720644 ] [ -0.3267622 0.7854122 0.4968046 ] [ -0.731049 0.6949966 -0.1242271 ] [ 0.2568895 0.0971455 -0.567082 ] [ 0.0702395 -0.1180879 -0.4334283 ] [ 0.4418012 0.3299495 0.1308646 ] [ 0.329817 -0.2241494 0.406882 ] [ -0.45919 -0.0377289 -0.4233687 ] [ -0.4484676 0.5876793 0.5604959 ] [ 0.4604397 0.2306036 0.3417769 ] [ 0.1774407 0.1949172 -0.6596246 ] [ -0.2976614 -0.6049286 -1.2979858 ] [ -0.0522179 -0.028848 0.2565121 ] [ 0.0656383 0.2156862 0.06241 ] [ 0.2339097 -0.0129895 -0.2290168 ] [ 0.0199495 -0.3210297 0.9029325 ] [ 0.6302899 0.0048962 0.3409968 ] [ -1.3846563 -0.3605006 0.6945019 ] [ 0.0327886 -0.5557522 0.0467541 ] [ 0.1988674 0.0880197 0.4419529 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.5428925737534051e-09 -9.605999011573962e-10 2.202262279204896e-10 ] [ 4.041716466170394e-10 1.3273889216792938e-10 -1.3131681620935734e-09 ] [ -3.62570169009249e-10 1.593723550079016e-10 -1.8621831453484121e-09 ] [ -7.045433960824476e-10 -1.0720159051564098e-09 -4.746033314476793e-10 ] [ -6.595481879285184e-10 -5.848686521881542e-10 7.821294404545512e-10 ] [ -4.554680552548272e-10 -1.015538858372583e-09 -5.055777316598113e-10 ] [ -9.773532213484806e-10 4.37509577799648e-11 -1.683716209434162e-09 ] [ -2.123563362942816e-10 -1.623472765819128e-10 1.52720277841197e-10 ] [ -9.143046868826394e-10 8.788052592031014e-10 5.28161532839685e-10 ] [ -2.937049322736708e-10 6.551694391877964e-10 4.3933397633278375e-10 ] [ -1.443790258492662e-10 -7.140534359288814e-10 -1.0607904147879521e-09 ] [ -5.6224703963971795e-11 -3.1830250926481923e-10 -7.81014645952614e-11 ] [ -1.1415410784475326e-09 -5.709266713367496e-10 1.9137977462657124e-09 ] [ -7.45846868836314e-10 -3.694632135417072e-10 7.2030657111372e-10 ] [ 6.307589964274992e-10 -9.859484183369005e-10 9.043047014215284e-10 ] [ 8.860160153620818e-10 2.9931879898154337e-10 -3.183238182140514e-10 ] [ -6.827967321938388e-10 6.148559513760787e-10 -2.918706002454042e-10 ] [ 4.92142198842414e-11 1.4786009104372435e-09 -2.977022027578374e-10 ] [ 4.437277855338654e-10 -4.0822178893012803e-10 -3.273341391683406e-10 ] [ 9.67056993427743e-10 4.866236616442644e-10 2.0081986344116462e-10 ] [ -3.821450824704708e-10 -6.54959393831079e-10 2.7437611314343137e-10 ] [ 1.9598117785412022e-09 1.8222112415950633e-09 1.3151877057407304e-09 ] [ 2.066295481772447e-09 -8.01411956680068e-11 1.2010081072657301e-09 ] [ -1.8094223472671486e-09 -7.618353099023267e-10 -6.677468462000232e-10 ] [ -2.7054514859387404e-10 -7.421347857929995e-10 4.813965603758394e-10 ] [ -1.7927959194654768e-09 8.844303411474121e-11 2.649354475452498e-10 ] [ -1.584366838536456e-10 2.4782740544739783e-10 5.544586988041805e-10 ] [ 7.922628872292743e-10 -2.8963828754125202e-11 -3.0496317113252735e-09 ] [ -3.170952691711002e-10 1.068877721783394e-09 3.211929961302186e-10 ] [ 8.542756145012346e-10 1.85653819641384e-11 2.1187119720950642e-10 ] [ 2.13797654394228e-10 4.3098407258702937e-10 5.634930524079798e-10 ] [ -3.261973948465176e-10 -7.47734232911166e-10 1.0651994446670568e-09 ] [ 1.362764981758014e-09 -1.539781467165504e-10 2.4487283151663838e-09 ] [ -4.2275545361246885e-10 1.23779360212938e-11 6.007029638619763e-10 ] [ 6.552785474165717e-10 8.61999868271412e-10 1.5711762785263973e-09 ] [ 4.644591500895084e-10 -4.694560185756276e-10 -9.83758883748876e-10 ] [ 4.255796103652206e-10 3.576101505857118e-10 2.6529529641724616e-10 ] [ 6.95294991680346e-11 1.5637679739884448e-09 -5.917147529452362e-10 ] [ -1.072271131894206e-10 -9.27949463968437e-10 -9.25550204459022e-11 ] [ 3.442271691619098e-10 -4.038411175774452e-10 -1.0370045004795882e-09 ] [ 1.2978601654440203e-09 -8.588413372551444e-10 -1.732615441392159e-09 ] [ -6.393875186899062e-10 -1.050228385763634e-10 -1.413767070548136e-09 ] [ -4.5159895890138063e-10 -8.323238720034738e-10 -1.0192722503651298e-09 ] [ 1.4276481686874487e-09 4.239357771387366e-10 1.660502272184136e-10 ] [ -1.576589072066703e-09 7.370646978347064e-10 1.154598978232296e-10 ] [ -5.235307617144348e-10 1.258369074898535e-09 7.959687217837163e-10 ] [ -1.1712696261090659e-09 1.1135073132294442e-09 -1.990337569295814e-10 ] [ 4.11582354419943e-10 1.55644250198247e-10 -9.08565529961988e-10 ] [ 1.12536085683843e-10 -1.8919767413812858e-10 -6.944286947743422e-10 ] [ 7.078435595131608e-10 5.286373792999831e-10 2.0966820433775639e-10 ] [ 5.28425090895978e-10 -3.591269312051196e-10 6.51896833195188e-10 ] [ -7.3570348856646e-10 -6.044836200652261e-11 -6.783114387069558e-10 ] [ -7.185243098260585e-10 9.415660427454762e-10 8.980134344328007e-10 ] [ 7.377057287059699e-10 3.694676996362824e-10 5.475869632209546e-10 ] [ 2.842913434606038e-10 3.122917834047048e-10 -1.0568351213315964e-09 ] [ -4.769061399237277e-10 -9.692024681583324e-10 -2.079602520023797e-09 ] [ -8.36622992565486e-11 -4.6219591537632e-11 4.109776929582714e-10 ] [ 1.051641505554822e-10 3.455673899162508e-10 9.999184372794e-11 ] [ 3.747646558059498e-10 -2.0811473387343e-11 -3.669253657534512e-10 ] [ 3.1962622759983e-11 -5.143462841600297e-10 1.446657353579205e-09 ] [ 1.0098357504261965e-09 7.8445772353908e-12 5.463371052287712e-10 ] [ -2.218463969980894e-09 -5.775856378629804e-10 1.1127147164486046e-09 ] [ 5.25331287815724e-11 -8.904131891340949e-10 7.49083265636994e-11 ] [ 3.186207015443316e-10 1.410231066716898e-10 7.080866097085385e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 28.50941718750005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.567712206677057e-18 } }