{ "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" [ [ -1.7103705999999999 -1.0123853999999999 0.8168627999999999 ] [ -2.0547105999999995 -0.7701426999999998 0.9813773999999998 ] [ -2.8951538999999995 -6.179467699999999 -0.7980408999999999 ] [ 1.2613198999999997 3.6699543999999995 -1.1468948999999997 ] [ -3.0533766999999994 -1.6025794999999998 -7.829123999999999 ] [ -0.7402544999999999 0.9565710999999999 8.251741899999999 ] [ 0.8239097999999999 6.980457799999999 0.29178889999999996 ] [ 2.7225589999999995 0.5548544999999999 -2.9890213999999995 ] [ -2.4510375999999994 -0.44427769999999994 -3.5579922999999996 ] [ 1.3455808999999999 0.21993379999999998 -2.9089154999999995 ] [ 0.04420319999999999 0.018824299999999995 0.18005979999999996 ] [ 1.3946278999999997 -1.3458825999999997 -0.5191778999999999 ] [ -0.8124485999999999 0.27910799999999997 0.38385779999999997 ] [ -1.2358269999999998 -3.2149702999999996 -0.34855879999999995 ] [ -1.3633675999999997 -2.4668840999999997 -1.5647864999999999 ] [ -0.8567385999999999 -2.3949281999999994 0.33973029999999993 ] [ 1.1868228999999997 1.7040670999999998 -5.053173499999999 ] [ 0.9345678999999999 1.1185407999999997 0.6449385999999999 ] [ 1.3665187999999997 -1.1741445999999998 -1.0302333999999997 ] [ 0.17598769999999997 3.9818392999999994 -6.427062899999999 ] [ -4.852768199999999 1.6283164999999997 18.259386899999996 ] [ 2.7380447999999995 -0.7559555999999998 4.302746899999999 ] [ 1.1147550999999998 7.4697816999999995 1.1715884999999997 ] [ 7.099173899999999 1.6049128999999998 -19.433437299999998 ] [ 4.489839999999999 -1.6288462999999997 -0.09314879999999999 ] [ -1.4389335999999997 0.08174339999999998 -1.4814006999999998 ] [ 0.07733099999999998 -0.32004029999999994 0.15112989999999998 ] [ 3.8937503999999996 -0.9939103999999999 3.3932817999999996 ] [ -0.8779509999999999 1.9865004999999998 3.6952065999999997 ] [ -1.7685021999999997 2.8401447999999996 3.4595510999999997 ] [ 0.28670439999999997 -0.9338578999999999 3.1730450999999995 ] [ 1.8342327999999999 -0.5936333999999999 4.469119899999999 ] [ -0.43101639999999997 1.4249543999999998 -2.3812403999999994 ] [ -2.6017924999999997 -0.09804869999999999 -1.0536051999999998 ] [ 0.9318402999999998 -1.2082803999999998 -1.2756109999999998 ] [ 3.0464247999999996 -2.1650317999999995 -3.0752568999999994 ] [ -2.5220747999999995 2.8419047999999996 -0.5430200999999999 ] [ 1.2250846999999998 -0.8350835999999999 0.7600867999999998 ] [ 0.30408019999999997 3.4814439999999998 -2.2804708999999996 ] [ 0.15408279999999996 1.4585549999999998 -3.9810286999999995 ] [ -3.1441000999999997 -0.9583805999999999 2.7316645999999998 ] [ 1.1941454999999999 0.7137680999999999 -0.15606179999999997 ] [ -0.5573905999999998 0.7774832999999999 -1.3442321999999998 ] [ 2.0431277999999997 -0.2552694999999999 -2.6745204999999994 ] [ 0.20977529999999997 -0.16790029999999997 0.011881199999999998 ] [ 1.9746657999999997 1.7420746999999999 -1.2461451999999997 ] [ -0.4395899999999999 -2.6621378999999994 2.4394080999999996 ] [ 2.3027822999999996 -0.9287481999999999 -0.5601126999999999 ] [ -3.1957934999999997 -1.0703873999999998 -0.6559003999999999 ] [ 1.2599159999999998 -2.2745612999999993 1.2535763999999998 ] [ -1.3616680999999997 -5.402162999999999 -0.4293025999999999 ] [ 1.0284062999999999 -0.33118289999999995 -2.9462433999999997 ] [ -1.9805667999999998 -0.41093409999999997 3.8185071999999995 ] [ 0.34805929999999996 0.05651339999999999 2.8424925999999995 ] [ -0.14967429999999998 0.03149659999999999 2.8792721999999995 ] [ 1.0053773999999998 0.8645565999999999 1.8154495999999998 ] [ -4.040823499999999 -0.9310413999999999 2.1453525999999994 ] [ -1.4229247999999999 1.1800724999999999 0.9507677999999999 ] [ -1.4919030999999998 0.26012499999999994 1.7684002999999997 ] [ 2.1515511999999997 -0.5360685999999999 -1.0378877999999998 ] [ -1.5888858999999997 -0.6156897999999998 1.4957147999999998 ] [ 0.36262659999999997 0.6532981999999999 -3.6402715999999997 ] [ -1.6826184999999998 -2.6302168999999997 5.8392444999999995 ] [ 0.39038709999999993 -1.2687644999999999 -0.25535269999999993 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.7403157882236685e-09 -1.6220202191192562e-09 1.3087584805612261e-09 ] [ -3.2920092858299398e-09 -1.233904628619788e-09 1.5723399264614897e-09 ] [ -4.638547892197941e-09 -9.900598677928747e-09 -1.2786024724221908e-09 ] [ 2.0208572551297936e-09 5.879915139082091e-09 -1.8375281952947535e-09 ] [ -4.892048763235455e-09 -2.5676154078733533e-09 -1.2543639434144178e-08 ] [ -1.1860184533419934e-09 1.5325958525529387e-09 1.322074795305577e-08 ] [ 1.3200490192080037e-09 1.1183926289641001e-08 4.674973537889491e-10 ] [ 4.362020378548626e-09 8.889749078456735e-10 -4.788940206150884e-09 ] [ -3.926995139421741e-09 -7.118113440827961e-10 -5.700532080046419e-09 ] [ 2.1558582593750226e-09 3.52372792483703e-10 -4.660596405982742e-09 ] [ 7.082133360454655e-11 3.015985336292543e-11 2.8848760190592377e-10 ] [ 2.2344402160954e-09 -2.1563416360615175e-09 -8.318146934160401e-10 ] [ -1.3016861525216906e-09 4.4718031227824637e-10 6.150079928717222e-10 ] [ -1.9800131267534015e-09 -5.150950251226362e-09 -5.58452760334103e-10 ] [ -2.184355694276206e-09 -3.952384031243249e-09 -2.507064346843459e-09 ] [ -1.3726465550569227e-09 -3.837097970534626e-09 5.443079440373701e-10 ] [ 1.901499903410056e-09 2.7302164678944555e-09 -8.096076442546107e-09 ] [ 1.4973428399301522e-09 1.7920999191709281e-09 1.0333055467714827e-09 ] [ 2.1894044732436707e-09 -1.8811870275585673e-09 -1.6506158674472944e-09 ] [ 2.819633784883641e-10 6.3796098342426366e-09 -1.0297289918791048e-08 ] [ -7.774991756201697e-09 2.608850627562883e-09 2.9254762801321782e-08 ] [ 4.386831365263012e-09 -1.2111743886828362e-09 6.893760488399674e-09 ] [ 1.7860345591375657e-09 1.1967909602219679e-08 1.8770917038981402e-09 ] [ 1.1374130449573556e-08 2.571353926800328e-09 -3.1135798903842676e-08 ] [ 7.193516679132671e-09 -2.6096994607365827e-09 -1.4924082961557502e-10 ] [ -2.3054257728035785e-09 1.309673643847027e-10 -2.373465567576754e-09 ] [ 1.238979202630848e-10 -5.127610863738181e-10 2.421367924838419e-10 ] [ 6.238475858110648e-09 -1.5924200060499762e-09 5.436636767746141e-09 ] [ -1.4066325664079808e-09 3.1827246583075103e-09 5.920373623545857e-09 ] [ -2.8334528786733652e-09 4.550413598246691e-09 5.542811890882923e-09 ] [ 4.593510867604915e-10 -1.4962052945293843e-09 5.0837786759639975e-09 ] [ 2.9387649092645223e-09 -9.511055548060146e-10 7.1603194193320325e-09 ] [ -6.905643992613811e-10 2.283028625386091e-09 -3.8151676973844395e-09 ] [ -4.168531115672784e-09 -1.5709133483983294e-10 -1.6880616189933078e-09 ] [ 1.4929727429792581e-09 -1.935878608250872e-09 -2.0437541214353088e-09 ] [ 4.8809105915853154e-09 -3.4687633332485406e-09 -4.927104708133882e-09 ] [ -4.0408092804688356e-09 4.553233429099299e-09 -8.70014108844478e-10 ] [ 1.9628020648397816e-09 -1.3379514203334988e-09 1.2177933007386853e-09 ] [ 4.871901872881881e-10 5.577888183424435e-09 -3.653717160394734e-09 ] [ 2.468678598274022e-10 2.336862721150944e-09 -6.378311109873817e-09 ] [ -5.037403673674942e-09 -1.5354949911482763e-09 4.3766091579869834e-09 ] [ 1.9132320019335262e-09 1.1435825624928363e-09 -2.5003856735996543e-10 ] [ -8.930381879736842e-10 1.2456655663224326e-09 -2.1536974037665497e-09 ] [ 3.273451594466538e-09 -4.089868249033055e-10 -4.285054216950325e-09 ] [ 3.360970812813062e-10 -2.690059352853062e-10 1.9035780867048957e-11 ] [ 3.1637633786533285e-09 2.7911113560271737e-09 -1.99654470556214e-09 ] [ -7.043008207374719e-10 -4.265215104725607e-09 3.908362626410148e-09 ] [ 3.6894639638520515e-09 -1.4880186526500826e-09 -8.973994729531641e-10 ] [ -5.1202256306046045e-09 -1.7149496674788976e-09 -1.0508682864533684e-09 ] [ 2.0186079593718526e-09 -3.6442489374364543e-09 2.008450800466629e-09 ] [ -2.181632795109156e-09 -8.655219260350789e-09 -6.87818588968654e-10 ] [ 1.647688530543431e-09 -5.306134995887443e-10 -4.7204022946663025e-09 ] [ -3.1732178228926694e-09 -6.583890077094893e-10 6.11792296219647e-09 ] [ 5.576524731120134e-10 9.054444824191872e-11 4.554175188517005e-09 ] [ -2.398046641946054e-10 5.046311615468927e-11 4.613102603759381e-09 ] [ 1.6107921653606896e-09 1.3851723718783372e-09 2.9086709053607114e-09 ] [ -6.4741129404792275e-09 -1.491692764076901e-09 3.437233779092493e-09 ] [ -2.279776847716516e-09 1.890684570349008e-09 1.5232979409694501e-09 ] [ -2.3902922673190444e-09 4.167661934855999e-10 2.833289616875706e-09 ] [ 3.4471650310941844e-09 -8.588765780649867e-10 -1.662879568173546e-09 ] [ -2.5456758420987664e-09 -9.864438032250276e-10 2.3963992839445475e-09 ] [ 5.809918606001932e-10 1.0466991024507226e-09 -5.832358050882209e-09 ] [ -2.6958520224255647e-09 -4.214072024813051e-09 9.355501021034986e-09 ] [ 6.254690846819116e-10 -2.0327848192010015e-09 -4.0912012599815607e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -279.22633 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.473698978377857e-17 } }