{ "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" [ 10.6701701 0 0 ] "si-unit" "m" "si-value" [ 1.06701701e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6701701 0 ] "si-unit" "m" "si-value" [ 0.0 1.06701701e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6701701 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06701701e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.5592951 1.9794121 2.2696171 ] [ 4.786856100000001 2.2212181 0.01705 ] [ 0.1437485 3.4407191 1.1797641 ] [ 5.3925311 3.8378731 1.6815471 ] [ 2.2998621 1.9395301 5.324194100000001 ] [ 0.732897 0.3566806 4.7274141 ] [ 3.7197951 3.1867261 3.989981100000001 ] [ 4.2013841 0.1586136 7.4664321 ] [ 2.9084461 2.0645931 7.5867061 ] [ 0.6038844 3.5337741 5.5353541 ] [ 4.8702701 3.2787761 7.3412221 ] [ 3.8538651 4.6818861 5.7708931 ] [ 2.6460151 1.6115221 9.892104100000001 ] [ 2.0877551 3.9072891 10.3712801 ] [ 4.3947391 4.2249951 9.4168251 ] [ 0.8560414 7.288648100000001 2.2050211 ] [ 2.3117611 5.7574271 1.1775341 ] [ 4.594337100000001 6.0917371 1.3322041 ] [ 2.0619201 10.4149201 1.7177691 ] [ 4.5687061 7.433829100000001 3.2620921 ] [ 2.4502981 8.608763100000001 3.2225631 ] [ 4.8159631 10.7601101 3.2415071 ] [ 4.3761031 9.7722751 5.4178001 ] [ 0.7410177 7.1236831 5.4994591 ] [ 2.3232711 6.0661001 6.9438151 ] [ 1.9766151 9.1822371 5.541502100000001 ] [ 2.5505321 9.2943721 7.9840941 ] [ 1.9249821 7.0248011 9.9254501 ] [ 0.9806991 5.2597391 8.7116671 ] [ 4.0200641 7.4664971 7.8649491 ] [ 5.2317821 7.2608791 9.9773801 ] [ 3.0065501 9.9652601 10.2609701 ] [ 6.0954661 0.4184692 1.2389151 ] [ 9.8470151 1.5180311 2.2011311 ] [ 7.5221141 3.6788041 0.6291426999999999 ] [ 5.6199621 1.9093231 4.4538971 ] [ 9.6933551 1.7619481 5.4575951 ] [ 7.7867751 5.1230431 5.2396631 ] [ 8.6468401 3.1102601 3.8033081 ] [ 10.5189101 4.412778100000001 3.3683691 ] [ 6.6717541 1.9193681 6.5848851 ] [ 8.1455591 3.2721591 7.7920431 ] [ 10.3564401 2.5753501 7.5693381 ] [ 6.4255111 0.2784291 8.388679100000001 ] [ 7.7754071 1.8896471 9.6269621 ] [ 9.6213571 0.6473222 8.7374831 ] [ 7.6349061 7.0054151 1.6158971 ] [ 7.856842100000001 9.3634861 1.4108211 ] [ 10.7662301 8.1559701 0.1797261 ] [ 10.7064301 10.4591601 0.6209655 ] [ 5.5690371 5.9814211 4.8795761 ] [ 9.5052611 6.542518100000001 3.0084401 ] [ 6.159315100000001 8.9873381 4.0532111 ] [ 9.734138100000001 9.8536241 2.6557041 ] [ 5.7349191 7.9339821 6.2109331 ] [ 7.5031051 5.5021871 7.5420981 ] [ 8.9833401 7.2244821 5.2039371 ] [ 8.3490471 9.8787611 7.3967521 ] [ 10.0527201 8.2112591 7.1365131 ] [ 6.5796961 5.2517281 9.7027281 ] [ 9.4849571 6.3649191 8.5139271 ] [ 8.4927911 7.9724951 10.1767901 ] [ 8.7911961 5.6284261 10.7231901 ] [ 5.3296281 9.6713601 10.2021401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5592950999999999e-10 1.9794121e-10 2.2696171e-10 ] [ 4.786856100000001e-10 2.2212181000000003e-10 1.705e-12 ] [ 1.4374850000000001e-11 3.4407191e-10 1.1797641000000002e-10 ] [ 5.392531100000001e-10 3.8378731e-10 1.6815471e-10 ] [ 2.2998621e-10 1.9395301e-10 5.324194100000001e-10 ] [ 7.328970000000001e-11 3.566806e-11 4.7274141e-10 ] [ 3.7197951e-10 3.1867261e-10 3.9899811000000013e-10 ] [ 4.2013841000000006e-10 1.586136e-11 7.466432099999999e-10 ] [ 2.9084461e-10 2.0645931000000003e-10 7.586706100000001e-10 ] [ 6.038844e-11 3.5337741e-10 5.535354100000001e-10 ] [ 4.8702701e-10 3.2787761e-10 7.341222100000001e-10 ] [ 3.8538651e-10 4.6818861e-10 5.7708931e-10 ] [ 2.6460151e-10 1.6115221e-10 9.892104100000001e-10 ] [ 2.0877550999999998e-10 3.9072891e-10 1.03712801e-09 ] [ 4.3947391e-10 4.2249951000000003e-10 9.4168251e-10 ] [ 8.560413999999999e-11 7.288648100000001e-10 2.2050211000000003e-10 ] [ 2.3117611000000001e-10 5.7574271e-10 1.1775341e-10 ] [ 4.5943371000000007e-10 6.0917371e-10 1.3322041e-10 ] [ 2.0619201e-10 1.04149201e-09 1.7177691e-10 ] [ 4.5687061e-10 7.433829100000002e-10 3.2620921e-10 ] [ 2.4502981e-10 8.608763100000001e-10 3.2225631e-10 ] [ 4.815963100000001e-10 1.07601101e-09 3.2415071e-10 ] [ 4.3761031e-10 9.7722751e-10 5.4178001e-10 ] [ 7.410177000000001e-11 7.1236831e-10 5.4994591e-10 ] [ 2.3232711e-10 6.0661001e-10 6.9438151e-10 ] [ 1.9766151000000002e-10 9.1822371e-10 5.541502100000001e-10 ] [ 2.5505321e-10 9.2943721e-10 7.9840941e-10 ] [ 1.9249821000000002e-10 7.0248011e-10 9.925450100000002e-10 ] [ 9.806991e-11 5.2597391e-10 8.7116671e-10 ] [ 4.0200641e-10 7.466497100000001e-10 7.8649491e-10 ] [ 5.2317821e-10 7.2608791e-10 9.9773801e-10 ] [ 3.0065501000000003e-10 9.9652601e-10 1.02609701e-09 ] [ 6.0954661e-10 4.184692e-11 1.2389151e-10 ] [ 9.8470151e-10 1.5180311e-10 2.2011311e-10 ] [ 7.5221141e-10 3.6788041e-10 6.291427e-11 ] [ 5.619962100000001e-10 1.9093231e-10 4.4538971e-10 ] [ 9.6933551e-10 1.7619480999999999e-10 5.4575951e-10 ] [ 7.7867751e-10 5.1230431e-10 5.2396631e-10 ] [ 8.6468401e-10 3.1102601e-10 3.8033081e-10 ] [ 1.05189101e-09 4.4127781000000007e-10 3.3683691e-10 ] [ 6.671754100000001e-10 1.9193681000000002e-10 6.5848851e-10 ] [ 8.1455591e-10 3.2721591e-10 7.7920431e-10 ] [ 1.03564401e-09 2.5753501e-10 7.569338100000001e-10 ] [ 6.4255111e-10 2.784291e-11 8.388679100000001e-10 ] [ 7.7754071e-10 1.8896471e-10 9.6269621e-10 ] [ 9.6213571e-10 6.473222e-11 8.7374831e-10 ] [ 7.6349061e-10 7.005415099999999e-10 1.6158971e-10 ] [ 7.856842100000001e-10 9.3634861e-10 1.4108211e-10 ] [ 1.07662301e-09 8.1559701e-10 1.797261e-11 ] [ 1.0706430100000001e-09 1.04591601e-09 6.209655e-11 ] [ 5.5690371e-10 5.981421100000001e-10 4.8795761e-10 ] [ 9.5052611e-10 6.542518100000001e-10 3.0084401e-10 ] [ 6.159315100000001e-10 8.987338100000001e-10 4.0532111000000004e-10 ] [ 9.7341381e-10 9.8536241e-10 2.6557041e-10 ] [ 5.7349191e-10 7.9339821e-10 6.2109331e-10 ] [ 7.503105100000001e-10 5.5021871e-10 7.5420981e-10 ] [ 8.9833401e-10 7.2244821e-10 5.2039371e-10 ] [ 8.349047100000001e-10 9.878761100000002e-10 7.3967521e-10 ] [ 1.00527201e-09 8.2112591e-10 7.136513100000001e-10 ] [ 6.5796961e-10 5.251728100000001e-10 9.702728100000001e-10 ] [ 9.4849571e-10 6.3649191e-10 8.513927100000001e-10 ] [ 8.492791100000001e-10 7.9724951e-10 1.01767901e-09 ] [ 8.791196100000001e-10 5.6284261e-10 1.07231901e-09 ] [ 5.3296281e-10 9.6713601e-10 1.02021401e-09 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.1941426 -0.6144058 3.0757215 ] [ 0.7562563 -0.2578515 0.4143214 ] [ -0.0104273 3.2077368 -1.4021441 ] [ -0.7273357 0.3485633 0.6539025 ] [ -0.9358771 0.8671903 -0.4694686 ] [ -0.237948 -0.3739043 -1.7359067 ] [ 0.0972739 -0.5085211 -0.9203065 ] [ 0.2853567 0.429694 -0.2648339 ] [ 1.1726955 -0.7990045 -0.5372038 ] [ 2.4172107 1.6084988 -1.5059444 ] [ -1.414937 0.7195455 -0.2776695 ] [ 1.2667693 0.2596632 0.0345407 ] [ 0.1622444 -0.2974227 0.106468 ] [ -1.7505126 0.2771189 0.0116553 ] [ 1.5791324 0.0099337 -0.2060112 ] [ -0.7323478 0.3342151 0.4854586 ] [ 0.9366484 0.0261929 -0.0927981 ] [ 0.1168518 0.0255474 0.1427166 ] [ 1.3095969 -0.1676215 0.03034 ] [ -0.0723681 -0.661898 -1.41493 ] [ 0.2613838 0.1396477 0.2507716 ] [ -0.1842492 1.9300148 -2.0750208 ] [ -3.5932158 1.4089163 3.0810554 ] [ 3.229231 0.1641413 -0.3963606 ] [ -0.0181111 -0.7220782 -0.3143819 ] [ -0.8462924 0.0043731 -1.1248597 ] [ 0.4226631 -1.1936871 0.9839924 ] [ 0.2615547 1.572596 -1.1604246 ] [ 0.0178544 0.0125153 -0.836243 ] [ -0.6099875 0.0021598 0.4427299 ] [ -0.1780198 -0.2979634 0.17861 ] [ 0.3889388 0.0081481 0.1174389 ] [ -0.195414 -0.8494162 -0.2971955 ] [ -3.2424404 0.7800248 1.9142897 ] [ -0.2733126 -2.1761753 0.5130399 ] [ -0.2475821 0.1982019 -0.8683361 ] [ -1.9121624 -1.6109624 -1.2984216 ] [ -0.5155125 0.5928518 -0.6390415 ] [ -0.3308589 0.047854 0.9808847 ] [ -0.7865073 1.0076988 -0.3552839 ] [ -0.4898827 0.5651253 0.2634089 ] [ -0.2629385 0.3399774 -0.6681585 ] [ -0.6243461 0.6358222 2.5973078 ] [ -0.5953201 -0.8582964 0.2802916 ] [ -0.8899054 0.2461109 1.0322578 ] [ 1.0956766 -0.9088617 1.9942239 ] [ -1.4098389 -1.4311342 3.3457341 ] [ -1.0071775 1.6516987 1.728142 ] [ 0.0854975 0.6959591 -0.119319 ] [ 0.6990821 -1.6810305 -4.187064 ] [ -0.5362807 -0.3369119 0.9156148 ] [ 0.3732036 -0.217805 0.6692398 ] [ 3.2053527 -0.9684617 -3.7634156 ] [ -0.3805696 -1.3148061 1.8241375 ] [ 0.0534928 -2.2748637 2.3849468 ] [ 1.3619628 -0.5524232 0.6660619 ] [ -1.9005159 -1.2725058 -1.9297788 ] [ 0.5177959 0.4051931 0.2977162 ] [ -0.8436288 0.1102766 2.1930152 ] [ -2.57386 1.1595948 -1.8496923 ] [ 0.955545 -0.5987314 -2.4924695 ] [ 1.0657226 3.657628 -2.5021833 ] [ 2.296985 -2.8180347 2.136831 ] [ -0.2564376 0.3143489 -0.0419993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.719757218021327e-09 -9.843866084439206e-10 4.927849079391908e-09 ] [ 1.211656163192711e-09 -4.1312364493821123e-10 6.638160605771252e-10 ] [ -1.670637627806784e-11 5.139360906639806e-09 -2.246482496012657e-09 ] [ -1.1653202540132028e-09 5.584599701288967e-10 1.0476672977826722e-09 ] [ -1.4994404095621037e-09 1.3893920244445382e-09 -7.52171615119707e-10 ] [ -3.812347225661184e-10 -5.990607278765895e-10 -2.781229130630079e-09 ] [ 1.5584996839403712e-10 -8.147406176034988e-10 -1.4744935582702753e-09 ] [ 4.571918333286394e-10 6.884456808980353e-10 -4.2431068297528515e-10 ] [ 1.878865313417366e-09 -1.2801463298139937e-09 -8.606953689649191e-10 ] [ 3.872798471087603e-09 2.577099171944855e-09 -2.4127889099046834e-09 ] [ -2.2669789813048894e-09 1.1528389777018463e-09 -4.4487558120922564e-10 ] [ 2.0295881564071814e-09 4.1602630832211455e-10 5.534030200606656e-11 ] [ 2.5994418453572354e-10 -4.765236964352122e-10 1.7058054046333438e-10 ] [ -2.804630362135822e-09 4.4399342276181314e-10 1.867384916841024e-11 ] [ 2.530049012427794e-09 1.5915541898040962e-11 -3.30066328262953e-10 ] [ -1.1733505234543142e-09 5.354716195383341e-10 7.777904192862989e-10 ] [ 1.5006761683897268e-09 4.1965652010952326e-11 -1.4867894627466048e-10 ] [ 1.8721722205839746e-10 4.0931447002225926e-11 2.286571999200653e-10 ] [ 2.0982055358521557e-09 -2.685592484434272e-10 4.8610038675072e-11 ] [ -1.1594647791171649e-10 -1.0604775009542784e-09 -2.266967766068544e-09 ] [ 4.1878301341586306e-10 2.237402800884922e-10 4.0178039468060926e-10 ] [ -2.951997606411034e-10 3.092224590357988e-09 -3.3245498134337126e-09 ] [ -5.756966348249169e-09 2.257332756524039e-09 4.936394929269592e-09 ] [ 5.173798411362605e-09 2.6298335336771903e-10 -6.350396867262605e-10 ] [ -2.9017180996970882e-11 -1.1568968104293465e-09 -5.036953301826836e-10 ] [ -1.355909897640722e-09 7.006478580420481e-12 -1.8022239130201018e-09 ] [ 6.771809372948525e-10 -1.9124975641705516e-09 1.576529618324882e-09 ] [ 4.190568254003577e-10 2.5195765451635972e-09 -1.8592051643211917e-09 ] [ 2.860590225841152e-11 2.005172106229824e-11 -1.3398089839076543e-09 ] [ -9.7730771148024e-10 3.46038106560384e-12 7.09331495109122e-10 ] [ -2.8521916159949186e-10 -4.773899933340787e-10 2.86164766241088e-10 ] [ 6.23148652282007e-10 1.305469532394048e-11 1.8815785995246912e-10 ] [ -3.1308774217701123e-10 -1.360914776968777e-09 -4.761596819069664e-10 ] [ -5.194962203217401e-09 1.2497374982041957e-09 3.067030202778246e-09 ] [ -4.378950578900621e-10 -3.4866171884224266e-09 8.219805333175699e-10 ] [ -3.966702523485677e-10 3.175544503781395e-10 -1.391227798416651e-09 ] [ -3.0636218924528177e-09 -2.581046294267858e-09 -2.080300731461729e-09 ] [ -8.259420752301601e-10 9.498532935591975e-10 -1.0238573510209634e-09 ] [ -5.300943943636052e-10 7.66705600117632e-11 1.571550534040422e-09 ] [ -1.260123608148532e-09 1.614511458168215e-09 -5.692275583266452e-10 ] [ -7.848786088743802e-10 9.054305434825864e-10 4.220275812906451e-10 ] [ -4.2127391740822086e-10 5.4470384188037e-10 -1.070507927688797e-09 ] [ -1.000312724707659e-09 1.0186994638256217e-09 4.161345834181482e-09 ] [ -9.538079461123181e-10 -1.3751424257968051e-09 4.4907664852662525e-10 ] [ -1.4257856266036724e-09 3.9431313010404675e-10 1.6538593137984423e-09 ] [ 1.7554674324776333e-09 -1.4561569672805435e-09 3.195098909220597e-09 ] [ -2.2588109246743893e-09 -2.2929297564673114e-09 5.36045695443333e-09 ] [ -1.6136762434957922e-09 2.646313041745753e-09 2.7687887098225538e-09 ] [ 1.36982095636848e-10 1.1150493990530093e-09 -1.911701122172352e-10 ] [ 1.1200529966397678e-09 -2.6933077659517345e-09 -6.708416050593332e-09 ] [ -8.592163997262587e-10 -5.397923694493075e-10 1.4669766262184678e-09 ] [ 5.979380827183949e-10 -3.48962078893344e-10 1.072240361268868e-09 ] [ 5.135541157358157e-09 -1.5516466938802235e-09 -6.0296564886740046e-09 ] [ -6.097397157072078e-10 -2.106551594305227e-09 2.9225904556245602e-09 ] [ 8.570491354113025e-11 -3.6447334356465854e-09 3.821106004811773e-09 ] [ 2.182104956559306e-09 -8.850795358275226e-10 1.0671488041856276e-09 ] [ -3.044962142438671e-09 -2.0387790425924007e-09 -3.091846476675479e-09 ] [ 8.296004853260948e-10 6.491909117294765e-10 4.76993935273417e-10 ] [ -1.351642339993559e-09 1.766825903413133e-10 3.5135976824990362e-09 ] [ -4.1237783172122876e-09 1.857875678161252e-09 -2.9635337587337802e-09 ] [ 1.530951859122336e-09 -9.592734512188531e-10 -3.993376360957066e-09 ] [ 1.7074758339781901e-09 5.8601660691834624e-09 -4.008939584216193e-09 ] [ 3.6801756653282877e-09 -4.5149893129431425e-09 3.423580670800685e-09 ] [ -4.108583274140621e-10 5.036424583541971e-10 -6.729029654996545e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -172.5775 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.76499635776112e-17 } }