{ "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" [ 10.5568 0 0 ] "si-unit" "m" "si-value" [ 1.05568e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.18164 9.41279 0 ] "si-unit" "m" "si-value" [ -5.18164e-10 9.41279e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.19777 -0.416057 10.1428 ] "si-unit" "m" "si-value" [ -1.9777e-11 -4.16057e-11 1.01428e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.170347 0.0395851 -0.319205 ] [ 0.227855 0.133127 2.4408 ] [ -0.444311 -0.236145 5.06773 ] [ -0.0192223 -0.305099 7.8376 ] [ -1.39298 1.939 0.0124242 ] [ -1.34227 2.19592 2.30102 ] [ -1.2658 2.0044 5.70179 ] [ -1.31478 1.98721 7.90881 ] [ -2.61745 4.56317 -0.303211 ] [ -2.67584 4.41075 2.74274 ] [ -2.94095 4.35732 5.52142 ] [ -2.59045 4.328 8.31475 ] [ -3.95908 6.82218 0.672691 ] [ -3.91652 6.71616 3.02153 ] [ -4.18768 6.72907 5.09251 ] [ -4.22384 6.66421 7.98011 ] [ 2.57977 -0.000876811 0.0103562 ] [ 2.19289 -0.301014 2.60846 ] [ 2.60916 -0.207874 5.20426 ] [ 2.84408 0.105556 7.67567 ] [ 1.1004 2.23439 0.284386 ] [ 1.31555 2.18302 2.63662 ] [ 1.26221 2.03515 5.1832 ] [ 1.32006 1.98522 7.88742 ] [ -0.0119844 4.54741 0.627071 ] [ 0.118844 4.59403 2.71885 ] [ -0.272434 4.24709 5.10605 ] [ 0.112545 4.318 7.88314 ] [ -1.6059 6.85287 -0.0668236 ] [ -1.18657 6.85496 2.73779 ] [ -1.48508 6.8235 5.63707 ] [ -1.34908 6.60262 8.08029 ] [ 5.50329 0.232111 -0.171836 ] [ 5.2765 0.0562673 2.51722 ] [ 5.27633 -0.164602 5.19235 ] [ 5.31964 -0.331343 7.50022 ] [ 3.73541 2.14247 -0.167954 ] [ 3.95236 2.19739 2.83858 ] [ 4.0036 2.11433 5.1109 ] [ 4.03554 1.61059 8.09438 ] [ 2.73928 4.64855 -0.295542 ] [ 2.61557 4.46237 2.94374 ] [ 2.75766 4.5643 5.1222 ] [ 2.71127 4.11747 8.3385 ] [ 1.30632 6.85992 0.284588 ] [ 1.2728 6.83667 2.73615 ] [ 1.40177 6.6926 5.45244 ] [ 1.46257 6.68829 7.72435 ] [ 7.94087 0.00288998 0.0313752 ] [ 7.90591 -0.0869976 2.67416 ] [ 7.90543 -0.141742 5.66366 ] [ 7.91265 -0.286775 7.80284 ] [ 6.64658 2.3077 0.341812 ] [ 6.62054 2.32307 2.37553 ] [ 6.55163 2.12148 5.03885 ] [ 6.66232 2.28584 8.21931 ] [ 5.27943 4.44959 0.194916 ] [ 5.19807 4.41159 2.89471 ] [ 5.32788 4.20402 5.49705 ] [ 5.43548 4.11274 8.00614 ] [ 4.29324 6.68044 0.401838 ] [ 3.94211 6.78559 2.87363 ] [ 3.92348 6.68764 5.26752 ] [ 3.92782 6.78657 7.98603 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.70347e-11 3.95851e-12 -3.19205e-11 ] [ 2.27855e-11 1.33127e-11 2.4408e-10 ] [ -4.4431100000000004e-11 -2.36145e-11 5.06773e-10 ] [ -1.9222300000000004e-12 -3.05099e-11 7.8376e-10 ] [ -1.39298e-10 1.9390000000000002e-10 1.24242e-12 ] [ -1.34227e-10 2.19592e-10 2.30102e-10 ] [ -1.2658000000000002e-10 2.0044e-10 5.70179e-10 ] [ -1.31478e-10 1.98721e-10 7.90881e-10 ] [ -2.61745e-10 4.5631700000000006e-10 -3.03211e-11 ] [ -2.67584e-10 4.4107500000000005e-10 2.74274e-10 ] [ -2.94095e-10 4.3573199999999997e-10 5.52142e-10 ] [ -2.59045e-10 4.3280000000000005e-10 8.314750000000001e-10 ] [ -3.95908e-10 6.82218e-10 6.72691e-11 ] [ -3.91652e-10 6.716160000000001e-10 3.02153e-10 ] [ -4.1876800000000003e-10 6.729070000000001e-10 5.09251e-10 ] [ -4.2238400000000003e-10 6.66421e-10 7.98011e-10 ] [ 2.57977e-10 -8.76811e-14 1.03562e-12 ] [ 2.19289e-10 -3.01014e-11 2.60846e-10 ] [ 2.6091600000000003e-10 -2.0787400000000002e-11 5.20426e-10 ] [ 2.84408e-10 1.05556e-11 7.67567e-10 ] [ 1.1004e-10 2.23439e-10 2.8438600000000004e-11 ] [ 1.31555e-10 2.18302e-10 2.63662e-10 ] [ 1.2622100000000001e-10 2.03515e-10 5.1832e-10 ] [ 1.32006e-10 1.98522e-10 7.88742e-10 ] [ -1.1984399999999999e-12 4.5474100000000003e-10 6.27071e-11 ] [ 1.18844e-11 4.59403e-10 2.7188500000000004e-10 ] [ -2.7243400000000002e-11 4.24709e-10 5.10605e-10 ] [ 1.1254500000000001e-11 4.318e-10 7.883140000000001e-10 ] [ -1.6059e-10 6.852870000000001e-10 -6.68236e-12 ] [ -1.18657e-10 6.85496e-10 2.73779e-10 ] [ -1.48508e-10 6.8235e-10 5.63707e-10 ] [ -1.34908e-10 6.60262e-10 8.08029e-10 ] [ 5.50329e-10 2.32111e-11 -1.71836e-11 ] [ 5.2765e-10 5.62673e-12 2.51722e-10 ] [ 5.27633e-10 -1.64602e-11 5.19235e-10 ] [ 5.31964e-10 -3.31343e-11 7.50022e-10 ] [ 3.73541e-10 2.1424699999999998e-10 -1.67954e-11 ] [ 3.9523600000000004e-10 2.19739e-10 2.83858e-10 ] [ 4.0035999999999995e-10 2.11433e-10 5.1109e-10 ] [ 4.0355400000000005e-10 1.61059e-10 8.094379999999999e-10 ] [ 2.73928e-10 4.6485500000000005e-10 -2.9554200000000005e-11 ] [ 2.61557e-10 4.4623700000000003e-10 2.94374e-10 ] [ 2.75766e-10 4.5643000000000005e-10 5.1222e-10 ] [ 2.71127e-10 4.11747e-10 8.3385e-10 ] [ 1.30632e-10 6.85992e-10 2.8458800000000003e-11 ] [ 1.2728e-10 6.836670000000001e-10 2.73615e-10 ] [ 1.40177e-10 6.6926e-10 5.45244e-10 ] [ 1.46257e-10 6.68829e-10 7.72435e-10 ] [ 7.940870000000001e-10 2.88998e-13 3.13752e-12 ] [ 7.905910000000001e-10 -8.69976e-12 2.67416e-10 ] [ 7.905430000000001e-10 -1.41742e-11 5.66366e-10 ] [ 7.912650000000001e-10 -2.8677500000000003e-11 7.802840000000001e-10 ] [ 6.64658e-10 2.3077000000000002e-10 3.41812e-11 ] [ 6.62054e-10 2.32307e-10 2.37553e-10 ] [ 6.551630000000001e-10 2.1214800000000002e-10 5.038850000000001e-10 ] [ 6.66232e-10 2.2858399999999998e-10 8.219310000000001e-10 ] [ 5.27943e-10 4.4495899999999997e-10 1.94916e-11 ] [ 5.198070000000001e-10 4.4115900000000005e-10 2.89471e-10 ] [ 5.327880000000001e-10 4.20402e-10 5.49705e-10 ] [ 5.43548e-10 4.11274e-10 8.00614e-10 ] [ 4.29324e-10 6.68044e-10 4.01838e-11 ] [ 3.9421100000000004e-10 6.785590000000001e-10 2.87363e-10 ] [ 3.9234800000000003e-10 6.68764e-10 5.267520000000001e-10 ] [ 3.9278200000000003e-10 6.786570000000001e-10 7.98603e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.10304439999999998 -0.4661700999999999 24.631780699999997 ] [ -25.348625099999996 4.446519699999999 0.6053665999999999 ] [ 4.492956999999999 -1.1922119999999998 -1.6678329999999997 ] [ 1.4196640999999999 -4.002783599999999 -24.983116799999998 ] [ 2.0273051999999994 1.7380065999999998 1.2509799999999998 ] [ -1.2165945999999999 -0.34196879999999996 6.506813099999999 ] [ -2.0066984999999997 2.0650077999999996 -4.072467799999999 ] [ 2.7954639999999995 -0.19612779999999996 2.8591996999999996 ] [ -6.083293699999999 -3.7153824999999996 95.93216949999999 ] [ 1.0654227999999997 1.5858234999999998 3.0553061999999995 ] [ 6.196702799999999 1.0644425999999998 -1.6629778999999998 ] [ 10.981949599999998 6.304828299999999 -93.26488429999999 ] [ 3.3852797999999997 0.4595565999999999 0.6936991999999998 ] [ 4.4601543999999995 0.8267069999999999 -11.710293899999998 ] [ -0.5752513999999999 1.1460288999999997 12.467072199999999 ] [ 0.21315929999999997 0.8535639999999999 -2.2792138999999993 ] [ 2.4905263999999994 -1.5903135999999998 2.8957690999999994 ] [ 22.680182899999995 -9.686362199999998 3.7546846999999994 ] [ -1.2495593999999999 -1.8892819999999997 0.12634579999999998 ] [ -21.404501199999995 -23.253475899999998 -9.710531599999998 ] [ 0.7397119999999999 1.9401435999999999 -3.6834030999999996 ] [ 2.0489357999999998 5.239127999999999 0.27302289999999996 ] [ -0.37600819999999996 -1.0153187999999997 -0.25553989999999993 ] [ -3.2563289999999996 -1.8713466999999997 -3.0306347999999996 ] [ 0.059526699999999995 1.5843747999999997 -13.422910899999998 ] [ -2.3120163999999996 -2.0852964999999997 10.671199899999998 ] [ 0.25904969999999994 0.8470011999999999 -0.5639372999999999 ] [ -0.7708854999999999 0.37291579999999996 -2.4777619999999994 ] [ -2.5803240999999995 1.9775678999999997 20.816611699999996 ] [ -2.8816384999999998 1.1765181999999998 -0.3676208999999999 ] [ -1.1072006999999997 -1.4064105999999998 -0.7454810999999999 ] [ 5.714936999999999 5.1125590999999995 -16.715322599999997 ] [ -0.8666362999999999 -2.4550140999999996 0.5267591999999999 ] [ -2.1903101999999994 -1.6400067999999999 -0.25796549999999996 ] [ 1.1672621999999997 -2.2273430999999997 -2.4815090999999994 ] [ 1.9739986999999999 -0.7732848999999999 3.9878120999999997 ] [ -4.729349099999999 1.1824516999999999 35.713245199999996 ] [ -1.2937646999999999 -0.6669717999999999 -5.276223899999999 ] [ -2.0529989999999994 -0.9532997999999999 4.623745699999999 ] [ 27.373721099999997 21.658988799999996 -22.918877299999995 ] [ -6.893977899999999 2.1504195999999998 78.19893839999999 ] [ -0.031010399999999997 -0.7333732999999999 -6.812486599999999 ] [ -1.0951170999999997 -1.7073565999999998 7.117546399999999 ] [ 7.297698099999999 -0.6227791999999999 -80.75302149999999 ] [ -1.1176925999999998 2.2165373999999995 -0.26043979999999994 ] [ 2.4210345999999996 2.3252801999999995 0.9852784999999998 ] [ -1.5299336999999997 -1.2842810999999998 -5.301262499999999 ] [ -2.7208068999999995 2.1950469999999997 4.185892399999999 ] [ -0.3335390999999999 -5.144866399999999 2.0518727999999995 ] [ 0.9966562999999999 -0.8939093999999999 1.0087069999999998 ] [ -4.0020131999999995 1.2403473999999999 -6.974947899999999 ] [ -2.0289926999999994 -0.9400540999999999 6.566027499999999 ] [ -0.26223219999999997 -1.5508122999999998 -12.408090699999999 ] [ -0.9222553999999998 -0.40821469999999993 14.201343799999998 ] [ 3.0700557999999996 -2.4162102999999995 -1.0881074999999998 ] [ 0.20270699999999997 -9.883446899999997 -6.545016599999999 ] [ -0.5745232999999998 -1.5624054999999997 4.427545199999999 ] [ 2.0389952999999994 1.5726878999999998 -1.7590028999999998 ] [ -6.099276999999999 0.7448872999999999 3.0286927999999995 ] [ -5.317381899999999 6.776576199999999 -6.947470399999999 ] [ -2.1803537999999993 3.3514717999999997 -0.5961894999999999 ] [ -0.36643499999999996 0.28274779999999994 -2.5566746999999994 ] [ 1.2770800999999998 2.9018300999999997 2.2167869999999996 ] [ -1.1756551999999998 1.2361150999999997 -1.8289970999999998 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6509532994454957e-10 -7.468868416894433e-10 3.946446349135216e-08 ] [ -4.061297483924591e-08 7.1241099659606874e-09 9.699042215240241e-10 ] [ 7.198510722966736e-09 -1.910134209174408e-09 -2.6721630620141215e-09 ] [ 2.274552649148639e-09 -6.4131663548784e-09 -4.0027365981452846e-08 ] [ 3.248101021426696e-09 2.7845935642577843e-09 2.0042909256013196e-09 ] [ -1.949199441170576e-09 -5.478944209170191e-10 1.0425063910625103e-08 ] [ -3.2150854481828485e-09 3.3085072461877447e-09 -6.5248127518773836e-09 ] [ 4.478827101988175e-09 -3.1423137843782516e-10 4.5809429512798095e-09 ] [ -9.746511023899404e-09 -5.952699027872505e-09 1.5370028042182745e-07 ] [ 1.7069955154908547e-09 2.540769357348099e-09 4.89514020335533e-09 ] [ 9.928212434002374e-09 1.705425061954208e-09 -2.664384334238388e-09 ] [ 1.7595023044885643e-08 1.010144858364194e-08 -1.4942681839817344e-07 ] [ 5.423816195112193e-09 7.362908465204843e-10 1.1114286492644927e-09 ] [ 7.1459551637122885e-09 1.3245306385642377e-09 -1.8761959263852728e-08 ] [ -9.216543517557874e-10 1.8361407254687222e-09 1.9974451773230972e-08 ] [ 3.4151884977979617e-10 1.3675602964235757e-09 -3.6517032544680114e-09 ] [ 3.990263204440137e-09 -2.547963290652422e-09 4.639533589479209e-09 ] [ 3.633765909722635e-08 -1.551926318530083e-08 6.0156680943772985e-09 ] [ -2.0020148734750596e-09 -3.0269634754367877e-09 2.0242828856403718e-10 ] [ -3.4293791685064954e-08 -3.725617574626212e-08 -1.555798683323863e-08 ] [ 1.185149282289408e-09 3.1084527425246422e-09 -5.901462380423165e-09 ] [ 3.2827570633260966e-09 8.394008464135151e-09 4.374309109269185e-10 ] [ -6.024315522323987e-10 -1.6267200574209189e-09 -4.094200568346965e-10 ] [ -5.217214236416585e-09 -2.9982279568530074e-09 -4.855612262747263e-09 ] [ 9.537228783912779e-11 2.538448284058423e-09 -2.1505874204243907e-08 ] [ -3.704258653504797e-09 -3.3410133272619804e-09 1.7097147136523134e-08 ] [ 4.150433763847097e-10 1.3570455316099606e-09 -9.035271651010479e-10 ] [ -1.2350947355894067e-09 5.974769812094171e-10 -3.969812381013107e-09 ] [ -4.1341349811670786e-09 3.168413081528448e-09 3.335188886479101e-08 ] [ -4.616893872334809e-09 1.8849899695157385e-09 -5.889936161500504e-10 ] [ -1.7739310906884434e-09 -2.25331820112992e-09 -1.1943923995086173e-09 ] [ 9.156338526182056e-09 8.191222729964069e-09 -2.6780899299492124e-08 ] [ -1.388504430036214e-09 -3.933366227160539e-09 8.439612819845326e-10 ] [ -3.509263823651866e-09 -2.627580574561111e-09 -4.133062964781269e-10 ] [ 1.8701602225914343e-09 -3.5685970707211247e-09 -3.975815897078369e-09 ] [ 3.1626945926863757e-09 -1.2389389982050265e-09 6.389179367402471e-09 ] [ -7.577252622048928e-09 1.8944964845735776e-09 5.721892698375265e-08 ] [ -2.0728395722340196e-09 -1.0686066334969211e-09 -8.45344264833235e-09 ] [ -3.289267027425365e-09 -1.5273546647568731e-09 7.408057322097972e-09 ] [ 4.3857536332052776e-08 3.470152577142769e-08 -3.6720089687573e-08 ] [ -1.1045370306692387e-08 3.445352036415626e-09 1.2528851190808534e-07 ] [ -4.96841382909936e-11 -1.174993565259472e-09 -1.0914806849958103e-08 ] [ -1.754571029113841e-09 -2.735486850425684e-09 1.1403566533490816e-08 ] [ 1.1692201377806194e-08 -9.978022823812125e-10 -1.293806041721996e-07 ] [ -1.7907409677147081e-09 3.551284430667111e-09 -4.172705621236331e-10 ] [ 3.878925066225536e-09 3.725509603942846e-09 1.5785901906825688e-09 ] [ -2.4512240257091653e-09 -2.0576451699078174e-09 -8.493558908200424e-09 ] [ -4.359213240805974e-09 3.5168530139317978e-09 6.70653899571818e-09 ] [ -5.343885525453892e-10 -8.242984731131695e-09 3.2874626561001544e-09 ] [ 1.5968194359888942e-09 -1.4322007535929594e-09 1.6161267859522376e-09 ] [ -6.411932037999568e-09 1.9872556223226516e-09 -1.1175098548747367e-08 ] [ -3.2508046944965708e-09 -1.5061327137158991e-09 1.0519935838701434e-08 ] [ -4.2014230352241476e-10 -2.484675230779798e-09 -1.98799529920927e-08 ] [ -1.4776160524603233e-09 -6.540320539953197e-10 2.2753061207760766e-08 ] [ 4.918771667836176e-09 -3.8711956854901295e-09 -1.7433404117801546e-09 ] [ 3.2477241894823797e-10 -1.583502768655973e-08 -1.0486272665662123e-08 ] [ -9.204878069485719e-10 -2.5032495849330866e-09 7.093709465418856e-09 ] [ 3.2668306264958194e-09 2.5197238059545283e-09 -2.818233345518238e-09 ] [ -9.772119093693616e-09 1.193441027023348e-09 4.852500835724034e-09 ] [ -8.519385034234523e-09 1.085727204616051e-08 -1.1131074740286632e-08 ] [ -3.4933119122131083e-09 5.369649807469921e-09 -9.552008863361429e-10 ] [ -5.8709359487979e-10 4.530119184749051e-10 -4.096244465078959e-09 ] [ 2.046107895966383e-09 4.649244382057883e-09 3.5516843339549572e-09 ] [ -1.8836072910805965e-09 1.980474730154573e-09 -2.930376417273761e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -121.14186 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.940906574912992e-17 } }