{ "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" [ 10.5065 0 0 ] "si-unit" "m" "si-value" [ 1.05065e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.29456 9.10679 0 ] "si-unit" "m" "si-value" [ -5.29456e-10 9.106790000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.300197 -0.289307 10.1274 ] "si-unit" "m" "si-value" [ -3.00197e-11 -2.89307e-11 1.01274e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.166777 0.2889 0.160089 ] [ -0.0160537 -0.0748787 2.59637 ] [ 0.0483621 0.13793 5.05648 ] [ 0.0183163 -0.442995 7.92158 ] [ -1.28138 2.28063 0.541279 ] [ -1.16912 2.21695 2.36717 ] [ -1.58624 1.92524 5.15521 ] [ -1.51209 2.14614 7.67964 ] [ -2.65807 4.57561 0.140484 ] [ -2.66555 4.48385 3.11478 ] [ -2.78114 4.40833 5.23162 ] [ -2.75161 4.49924 7.7752 ] [ -3.83227 6.80964 0.234641 ] [ -3.99993 6.82728 2.54703 ] [ -4.02723 6.74868 5.24999 ] [ -3.93779 6.77179 7.95309 ] [ 2.64688 -0.115663 0.138059 ] [ 2.27053 -0.147588 2.29968 ] [ 2.66535 -0.248904 5.07467 ] [ 2.77125 -0.540283 7.76229 ] [ 1.09465 2.18677 -0.304932 ] [ 1.22676 2.35159 2.83509 ] [ 1.23658 1.78229 5.20326 ] [ 1.22871 2.00159 8.22219 ] [ -0.420408 4.37846 0.346732 ] [ 0.0513518 4.60394 2.65419 ] [ -0.0697398 4.43727 5.58738 ] [ -0.0613428 4.34785 8.06976 ] [ -1.06131 6.6025 0.34956 ] [ -1.46425 6.83203 3.09109 ] [ -1.36532 6.73501 5.63228 ] [ -1.39436 6.63365 8.01046 ] [ 5.38113 0.0419127 0.169106 ] [ 5.2671 -0.0580278 2.60097 ] [ 5.14759 -0.113649 4.87738 ] [ 5.26865 -0.11854 7.95327 ] [ 3.98619 2.46757 -0.0422091 ] [ 3.94606 2.26797 2.27804 ] [ 3.6551 1.95206 4.9426 ] [ 3.87811 1.67697 8.05328 ] [ 2.65067 4.50586 0.0479013 ] [ 2.59512 4.6275 2.54523 ] [ 2.59404 4.42744 5.36684 ] [ 2.55841 4.36474 7.98562 ] [ 1.30847 6.85832 0.140496 ] [ 1.04675 6.65886 3.00706 ] [ 1.19615 6.98315 5.12423 ] [ 1.25206 6.66293 8.01894 ] [ 8.04953 0.0322781 0.0182935 ] [ 7.55558 0.199785 2.74649 ] [ 7.93559 0.112055 5.0724 ] [ 7.98515 -0.166664 8.01653 ] [ 6.60842 2.50903 0.388618 ] [ 6.50185 2.22264 2.77693 ] [ 6.25597 2.16054 5.35335 ] [ 6.59137 1.90633 8.35502 ] [ 5.23396 4.56546 -0.0725681 ] [ 5.25066 4.49547 3.18851 ] [ 5.24015 4.40121 5.40633 ] [ 5.22152 4.38149 8.02722 ] [ 4.08756 6.79587 0.0520959 ] [ 4.05454 6.94186 3.14225 ] [ 3.82322 6.82242 5.08974 ] [ 3.89326 6.64076 8.04862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.66777e-11 2.889e-11 1.6008900000000003e-11 ] [ -1.60537e-12 -7.487870000000001e-12 2.5963699999999997e-10 ] [ 4.83621e-12 1.3793e-11 5.05648e-10 ] [ 1.83163e-12 -4.429950000000001e-11 7.92158e-10 ] [ -1.28138e-10 2.28063e-10 5.4127899999999994e-11 ] [ -1.16912e-10 2.2169500000000003e-10 2.36717e-10 ] [ -1.5862400000000003e-10 1.92524e-10 5.15521e-10 ] [ -1.51209e-10 2.14614e-10 7.67964e-10 ] [ -2.65807e-10 4.5756100000000003e-10 1.40484e-11 ] [ -2.66555e-10 4.4838500000000005e-10 3.1147800000000003e-10 ] [ -2.78114e-10 4.4083300000000004e-10 5.231620000000001e-10 ] [ -2.75161e-10 4.4992400000000007e-10 7.7752e-10 ] [ -3.83227e-10 6.80964e-10 2.34641e-11 ] [ -3.99993e-10 6.827280000000001e-10 2.54703e-10 ] [ -4.0272300000000006e-10 6.748680000000001e-10 5.24999e-10 ] [ -3.9377900000000005e-10 6.77179e-10 7.953090000000001e-10 ] [ 2.64688e-10 -1.15663e-11 1.3805899999999999e-11 ] [ 2.27053e-10 -1.47588e-11 2.29968e-10 ] [ 2.66535e-10 -2.48904e-11 5.074670000000001e-10 ] [ 2.77125e-10 -5.40283e-11 7.76229e-10 ] [ 1.09465e-10 2.1867700000000001e-10 -3.04932e-11 ] [ 1.22676e-10 2.35159e-10 2.8350900000000003e-10 ] [ 1.23658e-10 1.78229e-10 5.203260000000001e-10 ] [ 1.22871e-10 2.0015900000000003e-10 8.22219e-10 ] [ -4.20408e-11 4.3784599999999996e-10 3.46732e-11 ] [ 5.135180000000001e-12 4.60394e-10 2.65419e-10 ] [ -6.9739800000000005e-12 4.43727e-10 5.58738e-10 ] [ -6.13428e-12 4.34785e-10 8.069760000000001e-10 ] [ -1.06131e-10 6.602500000000001e-10 3.4956e-11 ] [ -1.4642500000000001e-10 6.83203e-10 3.09109e-10 ] [ -1.36532e-10 6.73501e-10 5.63228e-10 ] [ -1.39436e-10 6.63365e-10 8.01046e-10 ] [ 5.38113e-10 4.19127e-12 1.69106e-11 ] [ 5.2671e-10 -5.80278e-12 2.60097e-10 ] [ 5.14759e-10 -1.13649e-11 4.87738e-10 ] [ 5.26865e-10 -1.1854000000000002e-11 7.953270000000001e-10 ] [ 3.98619e-10 2.46757e-10 -4.2209100000000004e-12 ] [ 3.94606e-10 2.26797e-10 2.2780399999999999e-10 ] [ 3.6551e-10 1.95206e-10 4.9426e-10 ] [ 3.87811e-10 1.6769700000000003e-10 8.053280000000001e-10 ] [ 2.6506699999999997e-10 4.5058600000000006e-10 4.79013e-12 ] [ 2.5951200000000003e-10 4.6275000000000003e-10 2.5452300000000004e-10 ] [ 2.5940400000000004e-10 4.42744e-10 5.36684e-10 ] [ 2.55841e-10 4.3647400000000003e-10 7.98562e-10 ] [ 1.3084700000000002e-10 6.85832e-10 1.4049600000000001e-11 ] [ 1.0467500000000002e-10 6.65886e-10 3.00706e-10 ] [ 1.19615e-10 6.983150000000001e-10 5.12423e-10 ] [ 1.25206e-10 6.66293e-10 8.01894e-10 ] [ 8.049530000000001e-10 3.2278099999999998e-12 1.82935e-12 ] [ 7.55558e-10 1.99785e-11 2.74649e-10 ] [ 7.935590000000001e-10 1.1205500000000001e-11 5.0724e-10 ] [ 7.98515e-10 -1.6666400000000002e-11 8.016529999999999e-10 ] [ 6.60842e-10 2.50903e-10 3.88618e-11 ] [ 6.501850000000001e-10 2.2226400000000002e-10 2.77693e-10 ] [ 6.25597e-10 2.1605400000000003e-10 5.35335e-10 ] [ 6.59137e-10 1.9063300000000002e-10 8.35502e-10 ] [ 5.23396e-10 4.56546e-10 -7.25681e-12 ] [ 5.25066e-10 4.4954700000000004e-10 3.18851e-10 ] [ 5.24015e-10 4.40121e-10 5.406329999999999e-10 ] [ 5.22152e-10 4.38149e-10 8.02722e-10 ] [ 4.08756e-10 6.79587e-10 5.209590000000001e-12 ] [ 4.05454e-10 6.94186e-10 3.14225e-10 ] [ 3.82322e-10 6.82242e-10 5.08974e-10 ] [ 3.89326e-10 6.64076e-10 8.04862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7743551999999998 -3.2529988999999997 0.43466829999999995 ] [ -1.5014636999999997 0.5739681999999999 0.4039267999999999 ] [ -4.021728399999999 -6.510101699999999 -0.27339169999999996 ] [ -0.9016530999999999 1.3814480999999998 -0.8535997999999999 ] [ -2.4235082999999995 -0.9130768999999999 -18.864294699999995 ] [ 0.46936969999999995 -0.48674189999999995 20.383242799999998 ] [ 2.2940833999999994 6.059922199999999 0.8111042999999999 ] [ 0.36628249999999996 0.2585587999999999 -0.6658709999999999 ] [ -2.0054688999999994 1.0393200999999999 -0.4705328999999999 ] [ 0.5274953999999998 0.04024839999999999 -4.249732599999999 ] [ 0.24020169999999996 0.05722289999999999 4.065498099999999 ] [ 0.31196359999999995 -0.061407399999999994 0.44387599999999994 ] [ 0.11716729999999999 -1.0324969999999998 -1.2324630999999997 ] [ -0.46919829999999996 -1.6536083999999998 1.4068762999999997 ] [ -0.13091709999999998 0.07658289999999998 0.18206599999999998 ] [ -1.0238947999999999 -2.9496166999999995 -0.7379675999999998 ] [ 1.1346148999999999 0.4580506999999999 -2.0819651999999995 ] [ 1.9831414999999997 1.1733897999999998 3.2113957999999996 ] [ 0.06570899999999999 -1.5259466999999998 0.09966019999999999 ] [ -0.5709813999999999 3.9824682999999994 -0.47605529999999996 ] [ -8.850803799999998 0.6045667999999998 39.73781889999999 ] [ 0.25252549999999996 -0.021009199999999995 0.5895057999999999 ] [ 4.036229299999999 6.809532599999999 0.6448525999999999 ] [ 10.395026699999999 3.0009709999999994 -41.26709189999999 ] [ 3.1161809999999996 0.22336339999999996 -0.7071245999999999 ] [ -0.5169570999999998 -1.1528083999999998 0.25150449999999996 ] [ 0.059246599999999996 -0.04583879999999999 0.0020479999999999995 ] [ 0.06018799999999999 -0.28782329999999995 -0.7028493999999998 ] [ -0.5756085999999999 1.7145297999999998 0.10281269999999999 ] [ -0.005217299999999999 -0.19027549999999996 -0.5107428999999999 ] [ 0.16182009999999997 -0.5567386999999999 -0.7904109999999999 ] [ 1.6187245999999997 -2.7739321999999995 0.7557888999999999 ] [ 0.20201349999999998 -0.4717452999999999 1.1031354999999998 ] [ -1.2438753999999999 -0.14399509999999996 -1.6173460999999998 ] [ 0.14729419999999996 0.38747519999999996 1.6896658999999998 ] [ 1.3103320999999999 -1.7705782999999997 -0.9508377999999998 ] [ -0.9150237999999999 0.9221798999999999 4.365100199999999 ] [ -0.18195499999999998 0.10993889999999999 1.5041691999999998 ] [ 0.9112403999999998 1.2969265999999997 0.03324409999999999 ] [ -1.2246643999999998 0.8062867999999999 -5.045924799999999 ] [ -0.4260285999999999 0.19310649999999996 3.3818234999999994 ] [ 0.5438615999999998 -0.29020769999999996 -0.027553399999999995 ] [ -0.029176599999999997 0.14336089999999999 -0.12006729999999999 ] [ -0.26645569999999996 0.04987989999999999 -3.1805642999999995 ] [ 0.8085151999999999 0.6206212999999999 1.2268212999999997 ] [ 0.37820429999999994 0.19402329999999998 -3.1218934999999997 ] [ 0.46553199999999995 -0.06654199999999999 3.7597118999999997 ] [ 0.11443959999999999 0.007146999999999999 -1.5980122999999997 ] [ -0.3604685999999999 -0.5960052999999998 3.7769134999999996 ] [ 2.1044196999999993 -1.1349525999999999 -0.3080455999999999 ] [ -3.1957265999999995 -5.356814899999999 0.31699799999999995 ] [ 0.017720899999999998 -0.07802959999999999 -3.6102244999999997 ] [ -0.3600768999999999 0.05638049999999999 2.4892710999999994 ] [ -0.41164249999999997 1.7971053999999997 0.32223769999999996 ] [ -0.20428989999999997 -0.25680669999999994 -0.05803749999999999 ] [ 0.5957647999999999 -0.09468259999999999 -3.2406422999999998 ] [ -0.45763419999999994 0.30564299999999994 6.082830899999999 ] [ -0.4658765999999999 0.10792319999999998 -2.1336018999999995 ] [ -0.31129229999999997 0.20750649999999998 1.9066611999999998 ] [ 0.7560469999999999 0.18763289999999996 -6.5795259999999995 ] [ -0.3520327999999999 -0.12358979999999999 4.089188299999999 ] [ 1.1826899999999998 -0.06810039999999999 -11.426633199999998 ] [ -1.1494209999999998 -0.8612336999999999 11.562214699999998 ] [ -0.42064939999999995 -0.11957599999999999 -4.233629099999999 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.842830418434908e-09 -5.211878785068117e-09 6.964153880628806e-10 ] [ -2.4056100371198647e-09 9.195984311226585e-10 6.471620754745573e-10 ] [ -6.443519217687389e-09 -1.0430332742770335e-08 -4.380217900607673e-10 ] [ -1.4446075168918444e-09 2.2133238486685804e-09 -1.3676176430795557e-09 ] [ -3.882888338574752e-09 -1.4629104621725393e-09 -3.022393193622134e-08 ] [ 7.520131598519097e-10 -7.798464925437715e-10 3.265755507024993e-08 ] [ 3.675526789645374e-09 9.7090656727069e-09 1.2995323464903493e-09 ] [ 5.868492581081759e-10 4.142568644621029e-10 -1.0668429486687166e-09 ] [ -3.213115385321492e-09 1.665174365747518e-09 -7.538768116972242e-10 ] [ 8.451407974595441e-10 6.448504550460671e-11 -6.808822216371596e-09 ] [ 3.848455480164153e-10 9.168119255437631e-11 6.513646007726819e-09 ] [ 4.998207864606029e-10 -9.838550062411392e-11 7.111677497342207e-10 ] [ 1.8772270878225983e-10 -1.6542425544461372e-09 -1.974623564818692e-09 ] [ -7.517385467791046e-10 -2.6493727184384944e-09 2.254064316217607e-09 ] [ -2.0975231688293565e-10 1.226993319330643e-10 2.9170188864257276e-10 ] [ -1.6404603107186916e-09 -4.725806917061247e-09 -1.1823544356278859e-09 ] [ 1.8178534663913297e-09 7.338781226810745e-10 -3.3356759687591954e-09 ] [ 3.177342947038243e-09 1.8799777046451875e-09 5.145223270895312e-09 ] [ 1.0527742357614718e-10 -2.444836127326911e-09 1.5967324246425215e-10 ] [ -9.148130499916529e-10 6.38061760333712e-09 -7.627246718679302e-10 ] [ -1.4180550923647796e-08 9.686227926718692e-10 6.366700440316436e-08 ] [ 4.0459045225583034e-10 -3.3660449061711355e-11 9.444924105860005e-10 ] [ 6.466752220647947e-09 1.0910073930295437e-08 1.0331677595820939e-09 ] [ 1.6654668751331773e-08 4.808085575898796e-09 -6.611716985058503e-08 ] [ 4.992672344381164e-09 3.578676174223987e-10 -1.1329385021125516e-09 ] [ -8.282565795765674e-10 -1.8470026667418545e-09 4.0295462992599353e-10 ] [ 9.492351738188928e-11 -7.344185368552703e-11 3.281257719398399e-12 ] [ 9.643180645271038e-11 -4.611437621815046e-10 -1.1260888766233073e-09 ] [ -9.222266416514188e-10 2.7469795612248995e-09 1.6472410426132416e-10 ] [ -8.359036083699839e-12 -3.0485495761103033e-10 -8.183003336195922e-10 ] [ 2.5926438099551803e-10 -8.919937290345849e-10 -1.2663780250231486e-09 ] [ 2.5934827096338314e-09 -4.444329318524309e-09 1.210907305840149e-09 ] [ 3.236613067859808e-10 -7.558192906322821e-10 1.7674179076745183e-09 ] [ -1.992908085068248e-09 -2.3070558272975801e-10 -2.591274109162059e-09 ] [ 2.359913236194393e-10 6.208037065798042e-10 2.7071432019429906e-09 ] [ 2.0993834561037675e-09 -2.8367791575558084e-09 -1.5234100933329061e-09 ] [ -1.466029739835575e-09 1.4774950759516818e-09 6.993661487889403e-09 ] [ -2.9152404703766397e-10 1.7614153529646912e-10 2.409944725967439e-09 ] [ 1.4599680648084401e-09 2.077905477413633e-09 5.326291979953727e-11 ] [ -1.9621286700060593e-09 1.2918138606196453e-09 -8.084462744874914e-09 ] [ -6.825730627121548e-10 3.0939071962451517e-10 5.418278547372028e-09 ] [ 8.71362340470881e-10 -4.6496399211614013e-10 -4.4145413303550714e-11 ] [ -4.674606639443328e-11 2.296894823168467e-10 -1.9236902098257984e-10 ] [ -4.2690909301889853e-10 7.99164096278419e-11 -5.095825762411117e-09 ] [ 1.295384151001436e-09 9.94344937230503e-10 1.9655844047594627e-09 ] [ 6.059500873460293e-10 3.108595951504646e-10 -5.0018247783274844e-09 ] [ 7.458644866342656e-10 -1.0661203670127358e-10 6.023722507123547e-09 ] [ 1.8335245161370367e-10 1.1450756308857599e-11 -2.5602979468108355e-09 ] [ -5.775343634525068e-10 -9.5490575753289e-10 6.0512825084839e-09 ] [ 3.371652043690949e-09 -1.818394521436174e-09 -4.935434584603084e-10 ] [ -5.120118444988673e-09 -8.58256359473309e-09 5.078867844403584e-10 ] [ 2.8392011679534718e-11 -1.2501720085037567e-10 -5.784217289739369e-09 ] [ -5.769067908701394e-10 9.033151896901439e-11 3.988251959253098e-09 ] [ -6.59523989627664e-10 2.879280256993432e-09 5.162817092803641e-10 ] [ -3.2730850164556986e-10 -4.114496908047993e-10 -9.298632562968e-11 ] [ 9.545204340555877e-10 -1.5169824811655807e-10 -5.1920813294355395e-09 ] [ -7.332108161185113e-10 4.896940689111743e-10 9.745769456259822e-09 ] [ -7.464165966977932e-10 1.7291202788192253e-10 -3.418407082274459e-09 ] [ -4.987452452950598e-10 3.324620629640352e-10 3.054807998426473e-09 ] [ 1.2113208276259775e-09 3.006210456729043e-10 -1.054156273314574e-08 ] [ -5.640187219147621e-10 -1.9801268812934783e-10 6.5516018923088955e-09 ] [ 1.894878267653952e-09 -1.0910886874712831e-10 -1.8307484567497088e-08 ] [ -1.8415754536565566e-09 -1.3798484991850808e-09 1.8524710077010084e-08 ] [ -6.739546342335475e-10 -1.915818716087808e-10 -6.783021565158544e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -201.40537 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.226869751175737e-17 } }