{ "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" [ [ -1.5688935 1.0718971 0.3902514 ] [ 2.0824251 -1.7967691 6.1290535 ] [ 0.9572396 1.3196175 1.8716931 ] [ 0.7630248 -0.5762971 0.6005042 ] [ -0.439021 2.8238973 1.3572763 ] [ -0.1877973 -0.0170846 -3.2628571 ] [ 1.0734677 0.9970103 -0.1545978 ] [ 0.0281433 0.822476 -0.1311046 ] [ -0.8770992 -0.1259068 -2.5031804 ] [ 2.5872894 0.6694633 -1.4107136 ] [ 0.8464703 -1.5739868 4.3571477 ] [ 0.6001464 -0.9331007 0.9270804 ] [ 1.9264101 -2.1399013 -3.4017733 ] [ 7.6684146 4.4609993 -4.2389085 ] [ -0.7736879 1.1401521 -4.4736813 ] [ 1.3520462 -0.1512016 -1.9433764 ] [ 1.5367395 -1.5488403 -1.3180116 ] [ -2.4609183 -0.9821076 1.0894273 ] [ 1.8322293 -0.7987995 -0.4170551 ] [ -2.0656932 -0.3465847 -0.8401851 ] [ 0.4671097 -1.3385992 3.6635616 ] [ -2.9461539 -4.9917418 -5.3753381 ] [ -4.9914352 5.023298 -0.8731561 ] [ 3.7463913 1.1867018 -1.0539897 ] [ 0.3870067 1.8330276 0.1126166 ] [ -0.0376534 -1.0470129 2.1008222 ] [ 0.467461 1.6688209 -0.3539259 ] [ 2.7817776 -0.7617351 7.322365 ] [ -1.7948082 -1.7737759 -0.3266713 ] [ 0.6710492 -0.8454954 -0.2442335 ] [ 2.0722964 -1.0290757 -2.4691448 ] [ -4.3748833 1.7724127 -2.7873065 ] [ -1.8561648 -0.8900936 -1.0121649 ] [ 0.5294611 6.1841774 -3.8967087 ] [ -1.3046092 -0.6853965 0.8606246 ] [ -1.3767793 3.3104281 -2.1054676 ] [ 2.2570852 -0.9558061 0.0836594 ] [ -6.2700925 -2.018283 8.3057509 ] [ 2.2689622 -0.6408263 1.8952749 ] [ 0.0946386 -0.2009925 0.7817648 ] [ -0.9785435 0.1812603 -0.7738522 ] [ 0.3074145 1.3754978 0.6921782 ] [ 0.6954783 -2.0600709 -4.690868 ] [ -4.1638664 0.9135734 -5.6913051 ] [ 7.872655 3.4788686 1.3441596 ] [ -2.6420661 1.5987915 4.0044498 ] [ 2.8877693 3.1259608 3.0192049 ] [ 2.6888304 6.7314229 1.5955441 ] [ -4.1394787 -1.8380436 6.8438082 ] [ -4.6696257 -8.4195001 0.9114215 ] [ -0.8250849 1.9033032 -1.0897219 ] [ 5.0840362 -3.3050382 6.8482725 ] [ 0.9941241 -5.9948518 -8.7066348 ] [ -5.7629603 -3.3214916 -7.0439968 ] [ -3.3265563 4.7690939 6.2963519 ] [ 1.0170505 -1.7402202 1.1730742 ] [ 1.1644154 0.0436928 -0.1614406 ] [ -0.7458691 -0.977344 0.3140541 ] [ 0.8178391 1.3448495 -1.9851497 ] [ 0.1311071 0.4638197 -4.3661896 ] [ -1.7788805 0.1480665 -2.4964895 ] [ 4.388305 -2.5749395 2.1194796 ] [ -4.8339031 5.5622592 3.4783214 ] [ 0.1462147 -7.5239257 1.110006 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.513644506934479e-09 1.7173684876723612e-09 6.252516744657876e-10 ] [ 3.3364128372751135e-09 -2.8787414687132094e-09 9.81982630623592e-09 ] [ 1.5336669202595063e-09 2.114260324317495e-09 2.9987829508390254e-09 ] [ 1.2225005057225232e-09 -9.233297478619614e-10 9.62113797858863e-10 ] [ -7.03389188035314e-10 4.5243822708756886e-09 2.1745963737419745e-09 ] [ -3.008844459882882e-10 -2.7372546921236397e-11 -5.2276734057010014e-09 ] [ 1.7198848662937216e-09 1.5973866065173301e-09 -2.476929828278052e-10 ] [ 4.50905376636522e-11 1.317751829225784e-09 -2.1005272672991637e-10 ] [ -1.4052678439400928e-09 -2.0172493302171122e-10 -4.010537147566774e-09 ] [ 4.145294622075879e-09 1.072598456580532e-09 -2.2602123671860226e-09 ] [ 1.3561949360349703e-09 -2.5218048731844312e-09 6.980920235826841e-09 ] [ 9.615405390592176e-10 -1.4949921387090439e-09 1.4853465547193737e-09 ] [ 3.0864492497216033e-09 -3.428499861926224e-09 -5.450241695425072e-09 ] [ 1.2286154691944457e-08 7.147308842750356e-09 -6.791480152363989e-09 ] [ -1.2395846753885286e-09 1.8267250538260313e-09 -7.167627646822744e-09 ] [ 2.166216829728491e-09 -2.422516705434144e-10 -3.1136322591470377e-09 ] [ 2.462128119444843e-09 -2.48151573845755e-09 -2.1116873888609544e-09 ] [ -3.942825798443002e-09 -1.5735098487938183e-09 1.7454549645017084e-09 ] [ 2.935554972590176e-09 -1.279817894150883e-09 -6.681959363105334e-10 ] [ -3.309605378052689e-09 -5.552899080418999e-10 -1.3461249354549533e-09 ] [ 7.483922468547499e-10 -2.144672360531093e-09 5.869672792739654e-09 ] [ -4.720258938747973e-09 -7.997652074921101e-09 -8.612241103669954e-09 ] [ -7.997160847565116e-09 8.048210681218932e-09 -1.3989503012545674e-09 ] [ 6.002380602680884e-09 1.901305895485741e-09 -1.6886776698166699e-09 ] [ 6.200530919414478e-10 2.9368339901970984e-09 1.804316851205244e-10 ] [ -6.03273976706556e-11 -1.6774996038765786e-09 3.365888241028475e-09 ] [ 7.48955091506274e-10 2.6737458523108508e-09 -5.670518071474206e-10 ] [ 4.456899071704598e-09 -1.2204341785176534e-09 1.173172210861941e-08 ] [ -2.875599760551599e-09 -2.8419023009323204e-09 -5.233851238584042e-10 ] [ 1.0751393485043928e-09 -1.3546329740344836e-09 -3.9130520694003897e-10 ] [ 3.3201848708023176e-09 -1.6487610411571937e-09 -3.956006104522604e-09 ] [ -7.009335799736811e-09 2.839718213744852e-09 -4.465757346096321e-09 ] [ -2.973903871413283e-09 -1.4260871679929424e-09 -1.6216669525349464e-09 ] [ 8.482902030319374e-10 9.908144530790872e-09 -6.243215628644516e-09 ] [ -2.090214376741433e-09 -1.0981262573253809e-09 1.3788726247655963e-09 ] [ -2.205843624634876e-09 5.303890550357016e-09 -3.3733309923640582e-09 ] [ 3.616249168387217e-09 -1.5313702000546675e-09 1.340371358944596e-10 ] [ -1.0045795696518644e-08 -3.2336458633994216e-09 1.330728001980447e-08 ] [ 3.6352782202692347e-09 -1.0267169243126741e-09 3.0365651597866866e-09 ] [ 1.516277535944724e-10 -3.22025487109245e-10 1.2525252958436833e-09 ] [ -1.567799531052579e-09 2.904110173318302e-10 -1.2398479130094948e-09 ] [ 4.925323288527929e-10 2.2037904352784053e-09 1.1089917386041788e-09 ] [ 1.1142790817140421e-09 -3.3005974603633505e-09 -7.515599102778312e-09 ] [ -6.671249453177697e-09 1.4637059549239355e-09 -9.118476048185033e-09 ] [ 1.261338388854327e-08 5.573761983676293e-09 2.1535811034867866e-09 ] [ -4.233056570903507e-09 2.561546383937811e-09 6.415835901585972e-09 ] [ 4.626716496842536e-09 5.0083413525599475e-09 4.837299544038307e-09 ] [ 4.307981239668873e-09 1.0784928483952518e-08 2.556343475536559e-09 ] [ -6.632176050080696e-09 -2.9448705081932423e-09 1.0964989585617598e-08 ] [ -7.481565186065894e-09 -1.3489526330180664e-08 1.460258231025231e-09 ] [ -1.3219317478462266e-09 3.049427914457429e-09 -1.7459269657380846e-09 ] [ 8.14552400605015e-09 -5.295254978517419e-09 1.0972142182764765e-08 ] [ 1.5927624043162792e-09 -9.604811478252841e-09 -1.3949566837331263e-08 ] [ -9.233280335329629e-09 -5.3216162315472745e-09 -1.1285727082930772e-08 ] [ -5.329730775545494e-09 7.640930811931931e-09 1.0087867893621504e-08 ] [ 1.6294945466980171e-09 -2.7881401424548066e-09 1.879472073188243e-09 ] [ 1.8655991461497637e-09 7.000358323403519e-11 -2.5865635709894036e-10 ] [ -1.1950140440426093e-09 -1.565877720180096e-09 5.031701408318994e-10 ] [ 1.3103226963915895e-09 2.154686445146583e-09 -3.18056046433211e-09 ] [ 2.100567321715014e-10 7.431210857288898e-10 -6.995406956733807e-09 ] [ -2.850080771778237e-09 2.37228686578161e-10 -3.999817143926343e-09 ] [ 7.03083973386537e-09 -4.125507900863643e-09 3.3957806913596666e-09 ] [ -7.744766597840164e-09 8.911721722491532e-09 5.5728852726221675e-09 ] [ 2.342617758873198e-10 -1.2054657952492094e-08 1.778425676799804e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -220.47042 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.532325554121662e-17 } }