{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.06701701e-09 0.0 0.0 ] "source-value" [ 10.6701701 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 1.06701701e-09 0.0 ] "source-value" [ 0 10.6701701 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 0.0 1.06701701e-09 ] "source-value" [ 0 0 10.6701701 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.5363153014311713e-08 -9.013677600293279e-09 1.2156576313466915e-08 ] [ 3.799025127059232e-09 -4.029575939527421e-09 -1.3711190398666523e-09 ] [ -5.866926453434928e-09 2.2908890801271646e-08 -1.4983931468139177e-08 ] [ -4.659952651416505e-09 1.7656037630867866e-09 6.282780687987969e-09 ] [ -1.0172738470684338e-09 1.7446495359339916e-09 -9.564425653475617e-10 ] [ -3.0140210677554437e-09 -5.0434603819545524e-09 -7.939406319939885e-09 ] [ -3.5468729683011073e-10 3.2773783691464572e-09 -6.899678287966262e-09 ] [ 3.845613699491841e-09 2.843292325954685e-09 -6.560330069886029e-10 ] [ 7.476300852703872e-10 -7.316850633225235e-10 -8.865402402527059e-10 ] [ 1.146924831097955e-08 1.1641118924057952e-08 -6.193102536644917e-09 ] [ -2.9768697962723327e-09 2.7636369108983714e-09 -2.1486611217767272e-09 ] [ 3.2018927789634376e-09 2.0829965538438877e-09 1.057498413745563e-09 ] [ -3.5990670760769085e-09 2.454183706385645e-09 3.0368078645271094e-09 ] [ -6.828717564995706e-09 3.2520582107019824e-09 -4.672929160521351e-10 ] [ 2.727633118311078e-09 2.589904248151275e-09 -9.470658266743297e-11 ] [ -4.196967828080039e-09 4.518375993884189e-09 2.3721480977414707e-09 ] [ 3.1801531648311265e-09 -1.8597338826060557e-09 2.8860302270968626e-09 ] [ 2.6637677947233966e-09 6.315322016680051e-10 -1.9754837734463999e-13 ] [ 7.673645913835333e-09 -5.069384240549745e-09 3.6575351472821015e-09 ] [ -2.481077843142394e-10 -1.1823259168840359e-09 -3.9220082044718406e-09 ] [ 2.4061922681038637e-09 1.046656003899623e-09 1.4130125939296686e-09 ] [ -5.4848717368742844e-09 5.4759686016101604e-09 -1.0356115115165017e-08 ] [ -1.8736414325670142e-08 5.028533703466869e-09 1.4997602040156153e-08 ] [ 1.583236730203706e-08 -1.955582176333471e-09 -5.73427872621033e-09 ] [ -2.0371784681482216e-09 -4.517652611139898e-09 -1.786782935837142e-09 ] [ -5.147779063040813e-10 -3.6142172582031937e-10 -2.7106993931705185e-09 ] [ -3.3669043137105333e-09 -3.1891945679376254e-09 -7.884903956306496e-10 ] [ 2.56806882385704e-09 8.024141596190107e-09 -8.634052905013402e-10 ] [ -2.9445611036255905e-09 -4.106262521305392e-09 -3.920888443231563e-09 ] [ 1.6961431580862853e-09 -1.5243037874519885e-09 -8.582715961729728e-11 ] [ 3.647803206052038e-09 5.214221327505389e-10 -6.894460799800627e-10 ] [ -1.896586187931725e-10 -5.049780648288285e-09 2.448331916495835e-09 ] [ 2.218490547835336e-09 -7.035433116311578e-10 1.3632571591883866e-09 ] [ -1.9420469561974198e-08 4.935883514492233e-09 8.823657850889778e-09 ] [ 4.623974333437482e-09 -8.406897425240013e-09 5.063637072793273e-09 ] [ 4.575976326231556e-09 3.480070534532175e-09 -6.030266277095881e-09 ] [ -1.757947954365488e-08 -1.6002190493611743e-08 -6.464606425499712e-09 ] [ -5.364535935892224e-11 -3.8466289988164414e-10 -5.148456623533749e-09 ] [ -7.915681929409726e-09 -3.75182163923956e-09 2.68114163778169e-10 ] [ 2.603992828048618e-09 5.6180581158787945e-09 -2.4386129528964004e-09 ] [ 3.776010180336764e-09 -2.112753780222006e-09 8.46922578079536e-10 ] [ -5.974466951487955e-10 5.3660655339121015e-09 2.347561896406984e-09 ] [ 1.329972420544253e-09 4.494789871196406e-09 1.3159522215450859e-08 ] [ -5.906542673649139e-09 -2.4716266032562943e-09 2.534755246033732e-09 ] [ -6.915731777271355e-09 5.227024320882202e-10 6.505278640324692e-09 ] [ 8.942467738858189e-09 -2.922229645449556e-09 1.5314144395562934e-08 ] [ -6.440376548245691e-09 -7.604341040402374e-09 1.4483418060725402e-08 ] [ -6.830390557823146e-09 7.001984635216798e-09 6.022831536704721e-09 ] [ -1.7789583858741407e-09 1.8253801717205244e-09 -3.980337206746347e-09 ] [ 5.244974146435672e-09 -3.612687339747992e-09 -1.982596187944988e-08 ] [ -2.747129524956607e-09 -1.8500011402876822e-09 -2.3114473934151934e-10 ] [ -1.0448122190444064e-09 -9.462278883016512e-10 2.6268134307469826e-10 ] [ 2.2673875363431938e-08 -9.336033293350969e-09 -1.6225042046328677e-08 ] [ 1.4255733382014164e-09 -9.944118441261878e-09 1.4721287135344419e-08 ] [ 2.425674896030454e-09 -7.273781401957876e-09 1.4362057828012005e-08 ] [ 3.4469532233449156e-09 2.8793336094749053e-09 6.056984174424342e-09 ] [ -1.4470487694307239e-08 8.784077519431872e-11 -1.1063405597476902e-08 ] [ -1.0872899267033664e-10 1.8443436944219752e-09 -7.531753627508719e-09 ] [ 1.2944731533748493e-09 1.3795093183944576e-10 1.2835725204305096e-08 ] [ -8.203193805753582e-09 2.170773081755712e-09 -5.293584825981393e-09 ] [ 2.160713495406695e-09 -2.350669958833674e-09 -7.257443205867268e-09 ] [ -1.1725659375631085e-09 1.5406248082092215e-08 -1.3732243480116821e-08 ] [ 9.836504082866631e-09 -1.1047817220044828e-08 4.74306364100856e-09 ] [ -1.7936495443985664e-10 1.367585919982464e-11 -1.3453110186411436e-09 ] ] "source-value" [ [ 15.8304351 -5.6258951 7.5875382 ] [ 2.371165 -2.5150635 -0.8557852 ] [ -3.6618475 14.2986051 -9.3522345 ] [ -2.9085137 1.1020032 3.9214033 ] [ -0.6349324 1.0889246 -0.5969645 ] [ -1.881204 -3.1478804 -4.9553877 ] [ -0.2213784 2.0455787 -4.3064405 ] [ 2.4002433 1.7746435 -0.4094636 ] [ 0.466634 -0.4566819 -0.5533349 ] [ 7.1585418 7.265815 -3.8654306 ] [ -1.858016 1.7249265 -1.3410888 ] [ 1.9984643 1.3001042 0.6600386 ] [ -2.246361 1.531781 1.8954264 ] [ -4.2621503 2.0297751 -0.2916613 ] [ 1.7024547 1.6164911 -0.0591112 ] [ -2.6195413 2.8201485 1.4805784 ] [ 1.9848955 -1.1607546 1.8013184 ] [ 1.6625931 0.3941714 -0.0001233 ] [ 4.7895131 -3.1640608 2.2828539 ] [ -0.1548567 -0.7379498 -2.447925 ] [ 1.5018271 0.6532713 0.8819331 ] [ -3.4233877 3.4178308 -6.4637787 ] [ -11.6943501 3.1385639 9.360767 ] [ 9.8817865 -1.2205784 -3.5790553 ] [ -1.2715068 -2.819697 -1.1152222 ] [ -0.3212991 -0.2255817 -1.6918855 ] [ -2.1014564 -1.9905387 -0.492137 ] [ 1.6028625 5.0082753 -0.5388952 ] [ -1.8378505 -2.5629275 -2.4472261 ] [ 1.0586493 -0.9513956 -0.0535691 ] [ 2.2767797 0.3254461 -0.4303184 ] [ -0.1183756 -3.1518252 1.5281286 ] [ 1.3846729 -0.4391172 0.8508782 ] [ -12.1213038 3.0807362 5.5072941 ] [ 2.8860578 -5.2471727 3.1604737 ] [ 2.8560998 2.1720892 -3.7637962 ] [ -10.9722482 -9.9877818 -4.03489 ] [ -0.0334828 -0.2400877 -3.2134139 ] [ -4.9405801 -2.3417029 0.1673437 ] [ 1.6252845 3.5065161 -1.5220625 ] [ 2.3568002 -1.3186772 0.5286075 ] [ -0.3728969 3.3492347 1.4652329 ] [ 0.8301035 2.8054272 8.2135278 ] [ -3.686574 -1.542668 1.5820698 ] [ -4.3164603 0.3262452 4.0602756 ] [ 5.5814494 -1.8239123 9.5583372 ] [ -4.0197669 -4.7462564 9.0398386 ] [ -4.2631945 4.3702951 3.7591558 ] [ -1.1103385 1.1393127 -2.4843311 ] [ 3.2736554 -2.2548621 -12.3743922 ] [ -1.7146234 -1.1546799 -0.1442692 ] [ -0.6521205 -0.590589 0.1639528 ] [ 14.15192 -5.8270937 -10.1268748 ] [ 0.8897729 -6.2066306 9.1883048 ] [ 1.5139872 -4.5399373 8.9640915 ] [ 2.151419 1.7971387 3.7804722 ] [ -9.0317681 0.0548259 -6.9052347 ] [ -0.0678633 1.1511488 -4.7009509 ] [ 0.8079466 0.0861022 8.0114296 ] [ -5.1200309 1.35489 -3.3039958 ] [ 1.3486113 -1.4671728 -4.5297398 ] [ -0.7318581 9.6158238 -8.5709923 ] [ 6.139463 -6.8955052 2.9603875 ] [ -0.1119508 0.0085358 -0.8396771 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.389462159443087e-17 "source-value" -211.55359 } }