{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05065e-09 0.0 0.0 ] "source-value" [ 10.5065 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.29456e-10 9.106790000000001e-10 0.0 ] "source-value" [ -5.29456 9.10679 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.00197e-11 -2.89307e-11 1.01274e-09 ] "source-value" [ -0.300197 -0.289307 10.1274 ] } "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" [ [ -4.23267874278105e-09 -1.614077508630471e-08 6.660039929704895e-09 ] [ -6.265501533567964e-09 1.405830516791608e-09 1.4229667570570367e-09 ] [ -1.4577456695959622e-08 -2.7129992696443777e-08 7.416884132721502e-09 ] [ -3.7638648804627894e-09 4.322979660176607e-09 -9.926962974876996e-09 ] [ -7.862346911662252e-09 -5.146595054518041e-10 -5.610779235229305e-08 ] [ -7.774340471405342e-09 1.7217571557230149e-09 7.073413914740106e-08 ] [ 1.302587793436812e-08 2.4820933988152537e-08 -2.640085861873689e-10 ] [ -1.8948864387547178e-09 2.2010231376623883e-09 -4.591187871722417e-09 ] [ -2.7196821566126954e-09 2.3610229037219594e-09 6.291546356498027e-09 ] [ 4.17119986127005e-09 -3.33102773394693e-09 -1.4628559401021333e-08 ] [ 6.534021528684181e-09 -1.5865259186973772e-09 1.2024476210211305e-08 ] [ 1.5562502279647677e-10 -2.4569115723002186e-09 -1.8340695766234329e-09 ] [ -1.170564658746067e-10 -1.7771804504780386e-09 8.659458619689426e-10 ] [ -1.5528646685473553e-09 -5.306814318774662e-09 4.3945849388017114e-09 ] [ 8.499761665011186e-10 7.290459579927417e-10 7.618256264789345e-09 ] [ -3.3271655269848302e-09 -1.0898834340865201e-08 -5.617204796610556e-09 ] [ 9.538814699974464e-09 1.48336368869601e-09 -8.625450498301002e-09 ] [ 7.996759596652322e-09 4.681800732906043e-09 1.2725777596096978e-08 ] [ -9.248465208617508e-10 -2.3810709397780298e-09 6.204417748811654e-10 ] [ -1.0565084288115703e-09 1.0255420397377343e-08 -4.095101438529575e-09 ] [ -1.976298976932829e-08 6.0573606859302294e-09 7.915331917905145e-08 ] [ 4.343990123728792e-09 1.7506120362282988e-09 1.7556949415577867e-09 ] [ 1.0905904105422143e-08 2.8658500755566404e-08 5.262205235557051e-09 ] [ 2.869756630767605e-08 1.3575220077565707e-08 -8.751330663522873e-08 ] [ 1.5462275076997953e-08 -4.619606319316195e-09 -2.356427380520519e-09 ] [ -4.272313708461724e-09 -7.40293574327848e-09 4.989090197892379e-09 ] [ -1.007014148859479e-09 -2.4849049624364983e-09 -4.0944275630428655e-09 ] [ -2.518257793587016e-09 -8.344736657359197e-10 -4.694424763154313e-09 ] [ -6.735817276250562e-09 1.0345950586247336e-08 4.247459943631564e-10 ] [ -1.7922511646439318e-09 -1.171616007044636e-09 -5.705922603287101e-09 ] [ 5.205024833701996e-10 -1.235708679494809e-09 -1.1989994485413771e-09 ] [ 4.732059090888594e-09 -6.902244494259796e-09 1.6884331637516714e-09 ] [ -1.580515192886784e-09 -2.784337833927417e-09 7.915616560603597e-09 ] [ -8.22988991348e-09 -8.622590933468197e-10 -6.607172907748357e-09 ] [ -2.3005405760690972e-09 2.641691082630069e-09 1.4524695097224733e-08 ] [ 3.111539790827704e-09 -5.814785217487612e-09 -1.1719893943061136e-08 ] [ -8.0896749458577e-10 -1.886725271483687e-09 2.634906665729291e-08 ] [ -3.330734695842986e-09 -1.3310272936313874e-09 7.427102334555979e-09 ] [ 5.8778806952089995e-09 7.050452881260929e-09 1.4830137733220275e-09 ] [ -8.063740833332135e-09 8.711535287918923e-09 -2.7865858799875944e-08 ] [ 2.8944842722541754e-10 4.4158773854391565e-09 1.8308996221138813e-08 ] [ 4.222526069970364e-09 1.7652991893111722e-09 1.8104905035127813e-09 ] [ -1.937010065380481e-09 1.4123779717701694e-10 -1.2600119364380619e-09 ] [ -3.916899824534081e-09 -5.327652388122448e-09 -2.343033248057696e-08 ] [ 5.9116212531017506e-09 -1.601045484105715e-10 1.2761146125654124e-08 ] [ 7.538639622407254e-09 8.477467377332755e-10 -1.646567103039468e-08 ] [ 4.329506286859098e-09 -2.956867582467617e-09 1.900026589854867e-08 ] [ -2.7633137518739553e-09 -1.2104099902170527e-09 -1.6244788873180033e-08 ] [ -6.176695286741951e-11 4.5305672762271795e-09 2.0033081179274187e-08 ] [ 1.3414634876168896e-08 -8.537242824660519e-09 -6.026678362771261e-09 ] [ -1.0241375556901747e-08 -1.739483717964377e-08 8.839781996183845e-09 ] [ -1.9033414452180033e-09 -1.5687744426095613e-10 -1.971839927135948e-08 ] [ 1.3918760390774265e-09 -2.635363125848557e-09 8.387334688482382e-09 ] [ -1.6935542008847343e-09 9.248120420208712e-09 7.896619071757785e-10 ] [ 3.0510539383862764e-09 -3.570375777804608e-09 3.7153413593252406e-09 ] [ 2.290119218239104e-11 -4.958203116561272e-10 -2.1483081462453986e-08 ] [ 2.3423541815187358e-09 -3.382680306024902e-10 2.2494931941661008e-08 ] [ -5.444246626041955e-09 -9.58114116216042e-10 -1.7080664123023828e-08 ] [ -4.631739602865513e-09 3.4722387747743803e-09 1.2310796868237598e-08 ] [ -4.930756228870348e-10 -5.0255610249646365e-09 -2.6438432063759585e-08 ] [ 6.598284031856159e-10 5.042398939943272e-09 2.3687479424950427e-08 ] [ -4.42093145158947e-09 -6.251263630809563e-09 -5.0976150572394605e-08 ] [ -3.0733690543607785e-09 3.0304978521237503e-10 4.813277909891485e-08 ] [ -2.045526288995575e-09 1.3321372815942777e-09 -2.54491479218212e-08 ] ] "source-value" [ [ -2.6418302999999996 -10.074279499999998 4.156869999999999 ] [ -3.9106184999999996 0.8774503999999999 0.8881459999999999 ] [ -9.098532899999999 -16.933209699999995 4.629254999999999 ] [ -2.3492196999999995 2.6981916999999997 -6.195922999999999 ] [ -4.907290999999999 -0.32122519999999993 -35.01972979999999 ] [ -4.8523616999999994 1.0746362999999999 44.148777499999994 ] [ 8.130113599999998 15.492008599999998 -0.16478119999999996 ] [ -1.1826950999999999 1.3737705999999998 -2.8655940999999996 ] [ -1.6974920999999998 1.4736345999999998 3.9268743999999995 ] [ 2.6034581999999995 -2.0790639999999994 -9.130428699999998 ] [ 4.078215499999999 -0.9902315999999999 7.505087799999999 ] [ 0.09713349999999998 -1.5334835999999998 -1.1447361999999999 ] [ -0.07306089999999998 -1.1092287999999997 0.5404808999999999 ] [ -0.9692218999999999 -3.3122529999999997 2.7428841999999998 ] [ 0.5305133999999999 0.45503469999999996 4.7549415999999995 ] [ -2.0766533999999996 -6.802517399999999 -3.5059834999999997 ] [ 5.953659899999999 0.9258427999999999 -5.383582799999999 ] [ 4.991184799999999 2.9221501999999995 7.942805699999999 ] [ -0.5772437999999999 -1.4861475999999998 0.38724929999999996 ] [ -0.6594206999999999 6.400929999999999 -2.5559612999999994 ] [ -12.335088099999998 3.7807071999999997 49.40361639999999 ] [ 2.7113053999999996 1.0926460999999998 1.0958185999999999 ] [ 6.8069299999999995 17.887229399999995 3.2844101999999995 ] [ 17.911612199999997 8.472985999999999 -54.621510199999996 ] [ 9.650793099999998 -2.8833314999999997 -1.4707662999999997 ] [ -2.6665684999999995 -4.620549099999999 3.1139451999999994 ] [ -0.6285287999999999 -1.5509556999999998 -2.5555406999999994 ] [ -1.5717728999999998 -0.5208374999999998 -2.9300294999999994 ] [ -4.2041664999999995 6.457434499999999 0.26510559999999994 ] [ -1.1186351999999997 -0.7312651999999998 -3.5613567999999995 ] [ 0.32487209999999994 -0.7712686999999999 -0.7483565999999999 ] [ 2.9535189999999996 -4.308042199999999 1.0538370999999997 ] [ -0.9864799999999999 -1.7378469999999997 4.940539299999999 ] [ -5.136693299999999 -0.5381797999999999 -4.123872999999999 ] [ -1.4358844999999998 1.6488138999999997 9.065601699999998 ] [ 1.9420703999999998 -3.6293034999999993 -7.314982499999999 ] [ -0.5049177999999999 -1.1776012999999999 16.445793999999996 ] [ -2.0788810999999994 -0.8307618999999999 4.6356326999999995 ] [ 3.6686845999999997 4.400546599999999 0.9256243999999999 ] [ -5.032991199999999 5.437312699999999 -17.392501199999998 ] [ 0.18065949999999997 2.7561738999999994 11.427576699999998 ] [ 2.6354934999999995 1.1018130999999998 1.1300192999999998 ] [ -1.2089865999999998 0.08815369999999999 -0.7864375999999998 ] [ -2.4447365999999997 -3.3252590999999994 -14.624063399999999 ] [ 3.6897437999999996 -0.09992939999999999 7.964880999999999 ] [ 4.705248799999999 0.5291218999999999 -10.277063599999998 ] [ 2.7022652999999996 -1.8455315999999997 11.859033299999998 ] [ -1.7247247999999997 -0.7554784999999999 -10.139199799999998 ] [ -0.03855189999999999 2.8277576999999994 12.503665899999998 ] [ 8.372756599999999 -5.328527899999999 -3.7615567999999997 ] [ -6.392163899999999 -10.857003499999998 5.517357999999999 ] [ -1.1879722999999998 -0.09791519999999998 -12.307256899999999 ] [ 0.8687406999999999 -1.6448642999999998 5.234962599999999 ] [ -1.0570333999999997 5.772222799999999 0.4928681999999999 ] [ 1.9043180999999998 -2.2284532999999995 2.3189336999999997 ] [ 0.014293799999999999 -0.30946669999999993 -13.408684899999999 ] [ 1.4619824999999997 -0.21113029999999997 14.040232299999998 ] [ -3.3980314999999996 -0.5980077999999999 -10.660912099999997 ] [ -2.8909044999999995 2.1672009999999995 7.683795099999999 ] [ -0.30775359999999996 -3.1367084999999997 -16.501571499999997 ] [ 0.41183249999999993 3.1472178999999993 14.784561899999998 ] [ -2.7593283999999993 -3.9017318999999997 -31.816810899999997 ] [ -1.9182460999999997 0.18914879999999998 30.042117999999995 ] [ -1.2767170999999997 0.8314546999999999 -15.884108899999998 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.031130391453642e-17 "source-value" -189.18828 } }