element(s): ['Cl', 'Na', 'O'] AFLOW prototype label: ABC3_cP20_198_a_a_b Parameter names: ['a', 'x1', 'x2', 'x3', 'y3', 'z3'] model type (only 'standard' supported at this time): standard number of parameter sets: 2 Parameter values for parameter set 0: ['6.6764', '0.415405', '0.069505219', '0.30190567', '0.59214229', '0.49854846'] Parameter values for parameter set 1: ['7.2553', '0.23507224', '0.90904882', '0.25620953', '0.15956778', '0.42780502'] model name: LJ_ElliottAkerson_2015_Universal__MO_959249795837_003 ==== Building ASE atoms object with: ==== representative atom symbols = ['Cl', 'Na', 'O'] representative atom coordinates = [[0.415405 0.415405 0.415405 ] [0.06950522 0.06950522 0.06950522] [0.30190567 0.59214229 0.49854846]] spacegroup = 198 cell = [[6.6764, 0, 0], [0, 6.6764, 0], [0, 0, 6.6764]] ========================================= Step Time Energy fmax BFGS: 0 18:57:09 -95.063506 75.283542 BFGS: 1 18:57:09 -129.926610 32.708105 BFGS: 2 18:57:09 -138.741109 21.326830 BFGS: 3 18:57:09 -142.619225 16.419236 BFGS: 4 18:57:09 -145.253930 13.275160 BFGS: 5 18:57:09 -147.345794 10.957805 BFGS: 6 18:57:09 -149.141791 9.132030 BFGS: 7 18:57:09 -150.755623 7.640745 BFGS: 8 18:57:09 -152.250566 6.391353 BFGS: 9 18:57:09 -153.663867 6.235626 BFGS: 10 18:57:09 -155.021288 6.522991 BFGS: 11 18:57:09 -156.337883 6.773466 BFGS: 12 18:57:09 -157.623965 6.998312 BFGS: 13 18:57:10 -158.887821 7.202745 BFGS: 14 18:57:10 -160.135650 7.390775 BFGS: 15 18:57:10 -161.372210 7.565519 BFGS: 16 18:57:10 -162.601228 7.729435 BFGS: 17 18:57:10 -163.825677 7.884480 BFGS: 18 18:57:10 -165.048072 8.034039 BFGS: 19 18:57:10 -166.270196 8.175704 BFGS: 20 18:57:10 -167.493279 8.312132 BFGS: 21 18:57:10 -168.718092 8.449736 BFGS: 22 18:57:11 -169.945094 8.575941 BFGS: 23 18:57:11 -171.177670 8.700571 BFGS: 24 18:57:11 -172.418949 8.827340 BFGS: 25 18:57:11 -173.674171 8.965752 BFGS: 26 18:57:11 -174.946490 9.094183 BFGS: 27 18:57:12 -176.239921 9.226940 BFGS: 28 18:57:12 -177.560102 9.365750 BFGS: 29 18:57:12 -178.913811 9.514585 BFGS: 30 18:57:12 -180.307924 9.677197 BFGS: 31 18:57:12 -181.749315 9.840984 BFGS: 32 18:57:12 -183.246109 10.014968 BFGS: 33 18:57:12 -184.806071 10.198840 BFGS: 34 18:57:12 -186.436855 10.398706 BFGS: 35 18:57:12 -188.147818 10.604289 BFGS: 36 18:57:12 -189.942757 10.815887 BFGS: 37 18:57:12 -191.828634 11.031915 BFGS: 38 18:57:12 -193.812701 11.262589 BFGS: 39 18:57:12 -195.896488 11.489103 BFGS: 40 18:57:12 -198.088047 11.719113 BFGS: 41 18:57:12 -200.390350 11.950289 BFGS: 42 18:57:12 -202.805815 12.184470 BFGS: 43 18:57:12 -205.335331 12.413585 BFGS: 44 18:57:12 -207.971860 12.627780 BFGS: 45 18:57:12 -210.710657 12.838661 BFGS: 46 18:57:12 -213.540089 13.016931 BFGS: 47 18:57:12 -216.442394 13.168503 BFGS: 48 18:57:12 -219.394864 13.289888 BFGS: 49 18:57:13 -222.367645 13.357509 BFGS: 50 18:57:13 -225.325159 13.368768 BFGS: 51 18:57:13 -228.141567 13.300270 BFGS: 52 18:57:13 -230.896968 13.181545 BFGS: 53 18:57:13 -233.571046 12.992459 BFGS: 54 18:57:13 -236.128538 12.741609 BFGS: 55 18:57:13 -238.544682 12.429787 BFGS: 56 18:57:13 -240.811364 12.058918 BFGS: 57 18:57:13 -242.932735 11.648302 BFGS: 58 18:57:13 -244.926865 11.204695 BFGS: 59 18:57:13 -246.831653 10.748024 BFGS: 60 18:57:13 -248.699718 10.289865 BFGS: 61 18:57:13 -250.573621 9.849465 BFGS: 62 18:57:14 -252.487871 10.201476 BFGS: 63 18:57:14 -254.531557 10.897954 BFGS: 64 18:57:14 -256.784972 11.509386 BFGS: 65 18:57:14 -259.305885 11.930265 BFGS: 66 18:57:14 -262.124721 12.143028 BFGS: 67 18:57:14 -265.085924 12.100160 BFGS: 68 18:57:15 -267.289266 12.183488 BFGS: 69 18:57:15 -271.063051 11.624938 BFGS: 70 18:57:15 -275.201084 10.850873 BFGS: 71 18:57:15 -279.700454 9.948697 BFGS: 72 18:57:15 -284.575504 9.354130 BFGS: 73 18:57:16 -289.827302 9.657298 BFGS: 74 18:57:16 -295.465199 9.922021 BFGS: 75 18:57:16 -301.481685 10.125199 BFGS: 76 18:57:16 -307.807088 10.373465 BFGS: 77 18:57:16 -314.270950 10.901653 BFGS: 78 18:57:16 -320.559751 9.925627 BFGS: 79 18:57:17 -325.948379 8.219664 BFGS: 80 18:57:17 -329.277125 5.856482 BFGS: 81 18:57:17 -330.654842 9.374472 BFGS: 82 18:57:17 -331.617031 10.112087 BFGS: 83 18:57:17 -331.925966 11.891985 BFGS: 84 18:57:17 -332.102384 10.978876 BFGS: 85 18:57:17 -332.727164 12.246941 BFGS: 86 18:57:18 -333.519691 12.570213 BFGS: 87 18:57:18 -334.481270 12.815076 BFGS: 88 18:57:18 -335.575456 12.791533 BFGS: 89 18:57:18 -336.769442 12.492177 BFGS: 90 18:57:18 -338.025109 11.844557 BFGS: 91 18:57:18 -339.310766 10.788889 BFGS: 92 18:57:19 -340.589243 9.149726 BFGS: 93 18:57:19 -341.790285 6.514467 BFGS: 94 18:57:19 -342.633928 2.311848 BFGS: 95 18:57:19 -342.783502 1.381417 BFGS: 96 18:57:19 -342.891083 0.226426 BFGS: 97 18:57:19 -342.893316 0.137147 BFGS: 98 18:57:20 -342.893715 0.046476 BFGS: 99 18:57:20 -342.893783 0.007431 BFGS: 100 18:57:20 -342.893785 0.001122 BFGS: 101 18:57:20 -342.893785 0.000064 BFGS: 102 18:57:20 -342.893785 0.000002 BFGS: 103 18:57:20 -342.893785 0.000000 BFGS: 104 18:57:20 -342.893785 0.000000 Minimization converged after 104 steps. Maximum force component: 4.963267780967136e-09 eV/Angstrom Maximum stress component: 1.8316612196271095e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cl', 'Cl', 'Cl', 'Cl', 'Na', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.458211 0.458211 0.458211 ] [0.041789 0.541789 0.958211 ] [0.541789 0.958211 0.041789 ] [0.958211 0.041789 0.541789 ] [0.066192 0.066192 0.066192 ] [0.433808 0.933808 0.566192 ] [0.933808 0.566192 0.433808 ] [0.566192 0.433808 0.933808 ] [0.24458971 0.58639514 0.71363884] [0.25541029 0.41360486 0.21363884] [0.75541029 0.08639514 0.78636116] [0.74458971 0.91360486 0.28636116] [0.71363884 0.24458971 0.58639514] [0.21363884 0.25541029 0.41360486] [0.78636116 0.75541029 0.08639514] [0.28636116 0.74458971 0.91360486] [0.58639514 0.71363884 0.24458971] [0.41360486 0.21363884 0.25541029] [0.08639514 0.78636116 0.75541029] [0.91360486 0.28636116 0.74458971]] cellpar = Cell([5.192427632972647, 5.192427632972647, 5.192427632972647]) forces = [[ 4.96326778e-09 4.96326778e-09 4.96326778e-09] [-4.96326778e-09 -4.96326778e-09 4.96326778e-09] [-4.96326778e-09 4.96326778e-09 -4.96326778e-09] [ 4.96326778e-09 -4.96326778e-09 -4.96326778e-09] [ 2.88240538e-10 2.88240538e-10 2.88240538e-10] [-2.88240538e-10 -2.88240538e-10 2.88240538e-10] [-2.88240538e-10 2.88240538e-10 -2.88240538e-10] [ 2.88240538e-10 -2.88240538e-10 -2.88240538e-10] [ 9.85399930e-10 1.69057524e-09 -2.02035384e-09] [-9.85399930e-10 -1.69057524e-09 -2.02035384e-09] [-9.85399930e-10 1.69057524e-09 2.02035384e-09] [ 9.85399930e-10 -1.69057524e-09 2.02035384e-09] [-2.02035384e-09 9.85399930e-10 1.69057524e-09] [-2.02035384e-09 -9.85399930e-10 -1.69057524e-09] [ 2.02035384e-09 -9.85399930e-10 1.69057524e-09] [ 2.02035384e-09 9.85399930e-10 -1.69057524e-09] [ 1.69057524e-09 -2.02035384e-09 9.85399930e-10] [-1.69057524e-09 -2.02035384e-09 -9.85399930e-10] [ 1.69057524e-09 2.02035384e-09 -9.85399930e-10] [-1.69057524e-09 2.02035384e-09 9.85399930e-10]] stress = [-1.83166122e-10 -1.83166122e-10 -1.83166122e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -17.144689248649023 =============================================== ==== Building ASE atoms object with: ==== representative atom symbols = ['Cl', 'Na', 'O'] representative atom coordinates = [[0.23507224 0.23507224 0.23507224] [0.90904882 0.90904882 0.90904882] [0.25620953 0.15956778 0.42780502]] spacegroup = 198 cell = [[7.2553, 0, 0], [0, 7.2553, 0], [0, 0, 7.2553]] ========================================= Step Time Energy fmax BFGS: 0 18:57:23 -85.514374 73.053370 BFGS: 1 18:57:23 -118.400563 29.787064 BFGS: 2 18:57:23 -128.759058 14.082153 BFGS: 3 18:57:23 -132.294021 7.776493 BFGS: 4 18:57:23 -134.279126 4.015438 BFGS: 5 18:57:23 -135.630437 3.857298 BFGS: 6 18:57:24 -136.674920 4.090719 BFGS: 7 18:57:24 -137.551057 4.197554 BFGS: 8 18:57:24 -138.322315 4.220729 BFGS: 9 18:57:24 -139.019488 4.181589 BFGS: 10 18:57:24 -139.658609 4.097670 BFGS: 11 18:57:24 -140.248328 3.974586 BFGS: 12 18:57:24 -140.793730 3.823838 BFGS: 13 18:57:24 -141.298106 3.651040 BFGS: 14 18:57:24 -141.765329 3.460474 BFGS: 15 18:57:24 -142.196906 3.248568 BFGS: 16 18:57:25 -142.595459 3.024848 BFGS: 17 18:57:25 -142.964706 2.795561 BFGS: 18 18:57:25 -143.308056 2.559547 BFGS: 19 18:57:25 -143.629965 2.322460 BFGS: 20 18:57:25 -143.935310 2.089721 BFGS: 21 18:57:25 -144.229244 1.861669 BFGS: 22 18:57:25 -144.515884 1.638409 BFGS: 23 18:57:25 -144.799520 1.423246 BFGS: 24 18:57:25 -145.083703 1.351490 BFGS: 25 18:57:25 -145.371380 1.376705 BFGS: 26 18:57:25 -145.664459 1.429512 BFGS: 27 18:57:26 -145.963836 1.506775 BFGS: 28 18:57:26 -146.270896 1.608343 BFGS: 29 18:57:26 -146.579545 1.725079 BFGS: 30 18:57:26 -146.890414 1.858046 BFGS: 31 18:57:26 -147.203088 2.002449 BFGS: 32 18:57:26 -147.519373 2.159013 BFGS: 33 18:57:26 -147.841626 2.322534 BFGS: 34 18:57:26 -148.173258 2.500894 BFGS: 35 18:57:26 -148.518059 2.678292 BFGS: 36 18:57:26 -148.878491 2.918469 BFGS: 37 18:57:26 -149.259562 3.217324 BFGS: 38 18:57:26 -149.666721 3.526039 BFGS: 39 18:57:26 -150.107180 3.797339 BFGS: 40 18:57:27 -150.473751 3.957787 BFGS: 41 18:57:27 -151.018804 4.254320 BFGS: 42 18:57:27 -151.603030 4.503093 BFGS: 43 18:57:27 -152.267956 4.724710 BFGS: 44 18:57:27 -153.017811 4.891879 BFGS: 45 18:57:27 -153.870378 4.997258 BFGS: 46 18:57:27 -154.836452 5.025290 BFGS: 47 18:57:27 -155.923332 4.967891 BFGS: 48 18:57:27 -157.129877 4.819788 BFGS: 49 18:57:27 -158.446173 4.584153 BFGS: 50 18:57:27 -159.847152 4.342481 BFGS: 51 18:57:27 -161.306576 4.311923 BFGS: 52 18:57:27 -162.790859 4.229683 BFGS: 53 18:57:27 -164.265865 4.093650 BFGS: 54 18:57:27 -165.697373 3.909188 BFGS: 55 18:57:28 -167.132043 3.601303 BFGS: 56 18:57:28 -168.559385 3.162237 BFGS: 57 18:57:28 -169.963681 2.552136 BFGS: 58 18:57:28 -171.328366 2.425774 BFGS: 59 18:57:28 -172.630180 2.933792 BFGS: 60 18:57:28 -173.845032 4.221867 BFGS: 61 18:57:28 -174.925495 6.041591 BFGS: 62 18:57:28 -175.823161 7.690736 BFGS: 63 18:57:29 -176.616735 8.846291 BFGS: 64 18:57:29 -177.315069 9.130692 BFGS: 65 18:57:29 -178.005163 8.757675 BFGS: 66 18:57:29 -178.747669 8.691316 BFGS: 67 18:57:29 -179.582684 9.367926 BFGS: 68 18:57:29 -180.495146 9.996519 BFGS: 69 18:57:29 -181.712484 10.580955 BFGS: 70 18:57:29 -183.402542 11.130015 BFGS: 71 18:57:30 -185.683444 11.669078 BFGS: 72 18:57:30 -188.681867 12.217186 BFGS: 73 18:57:30 -192.551171 12.796388 BFGS: 74 18:57:30 -197.463987 13.420961 BFGS: 75 18:57:30 -203.503909 14.058430 BFGS: 76 18:57:31 -210.758925 14.655231 BFGS: 77 18:57:31 -219.047988 15.043747 BFGS: 78 18:57:31 -227.491855 14.839719 BFGS: 79 18:57:31 -233.820204 13.491667 BFGS: 80 18:57:31 -235.991867 11.256426 BFGS: 81 18:57:31 -236.775719 10.781164 BFGS: 82 18:57:31 -237.528592 10.214767 BFGS: 83 18:57:31 -238.577615 11.757045 BFGS: 84 18:57:31 -240.020886 14.594635 BFGS: 85 18:57:31 -241.507966 17.076828 BFGS: 86 18:57:32 -243.058031 19.277236 BFGS: 87 18:57:32 -244.687478 21.163912 BFGS: 88 18:57:32 -246.419073 22.665045 BFGS: 89 18:57:32 -248.276380 23.688809 BFGS: 90 18:57:32 -250.176035 24.082914 BFGS: 91 18:57:32 -252.072624 23.819380 BFGS: 92 18:57:32 -253.975369 22.946944 BFGS: 93 18:57:32 -255.882138 21.576728 BFGS: 94 18:57:32 -257.781674 19.845836 BFGS: 95 18:57:33 -259.658940 17.937346 BFGS: 96 18:57:33 -261.497854 16.022878 BFGS: 97 18:57:33 -263.301612 14.229029 BFGS: 98 18:57:33 -265.076700 12.630559 BFGS: 99 18:57:33 -266.840161 11.247361 BFGS: 100 18:57:33 -268.608720 10.064922 BFGS: 101 18:57:34 -270.391527 9.359156 BFGS: 102 18:57:34 -272.294976 10.206773 BFGS: 103 18:57:34 -274.390819 10.912384 BFGS: 104 18:57:34 -276.716992 11.467184 BFGS: 105 18:57:34 -279.295424 11.882627 BFGS: 106 18:57:35 -282.146922 12.182919 BFGS: 107 18:57:35 -285.300415 12.374197 BFGS: 108 18:57:35 -288.781210 12.553499 BFGS: 109 18:57:35 -292.625710 13.237423 BFGS: 110 18:57:36 -296.866191 13.744696 BFGS: 111 18:57:36 -301.530940 14.095150 BFGS: 112 18:57:36 -306.642318 14.254594 BFGS: 113 18:57:36 -312.201681 14.209622 BFGS: 114 18:57:36 -318.187181 13.923244 BFGS: 115 18:57:36 -324.540151 13.336214 BFGS: 116 18:57:36 -330.968872 12.401539 BFGS: 117 18:57:37 -337.268520 11.525599 BFGS: 118 18:57:37 -343.340921 12.127539 BFGS: 119 18:57:37 -349.024877 12.473326 BFGS: 120 18:57:37 -354.062861 12.451463 BFGS: 121 18:57:37 -358.100152 11.959726 BFGS: 122 18:57:37 -360.642912 10.951678 BFGS: 123 18:57:37 -361.811242 10.346813 BFGS: 124 18:57:38 -362.399662 12.224528 BFGS: 125 18:57:38 -363.244012 13.005957 BFGS: 126 18:57:38 -364.154816 12.631561 BFGS: 127 18:57:38 -365.076165 11.478125 BFGS: 128 18:57:39 -365.941786 9.725666 BFGS: 129 18:57:39 -366.636384 7.480224 BFGS: 130 18:57:39 -367.150172 4.524655 BFGS: 131 18:57:39 -367.403091 3.752917 BFGS: 132 18:57:39 -367.696384 4.001415 BFGS: 133 18:57:39 -367.823047 4.747618 BFGS: 134 18:57:39 -367.948102 5.345244 BFGS: 135 18:57:39 -368.098786 5.449538 BFGS: 136 18:57:39 -368.241776 5.456539 BFGS: 137 18:57:39 -368.309480 5.906304 BFGS: 138 18:57:39 -368.337133 6.093599 BFGS: 139 18:57:39 -368.353774 6.144247 BFGS: 140 18:57:39 -368.360094 6.154314 BFGS: 141 18:57:40 -368.362488 6.125249 BFGS: 142 18:57:40 -368.362632 6.132962 BFGS: 143 18:57:40 -368.363858 6.154569 BFGS: 144 18:57:40 -368.366329 6.179675 BFGS: 145 18:57:40 -368.373225 6.222247 BFGS: 146 18:57:40 -368.390812 6.293799 BFGS: 147 18:57:40 -368.437387 6.418965 BFGS: 148 18:57:40 -368.559306 6.645280 BFGS: 149 18:57:41 -368.881873 7.175415 BFGS: 150 18:57:41 -369.357539 8.528336 BFGS: 151 18:57:41 -369.935919 9.486746 BFGS: 152 18:57:41 -370.633017 10.191593 BFGS: 153 18:57:41 -371.481284 10.718649 BFGS: 154 18:57:41 -372.475281 11.022552 BFGS: 155 18:57:42 -373.656686 11.129822 BFGS: 156 18:57:42 -374.836946 10.744294 BFGS: 157 18:57:42 -375.828300 10.573259 BFGS: 158 18:57:42 -376.844618 9.953860 BFGS: 159 18:57:42 -377.647762 9.663426 BFGS: 160 18:57:42 -378.572546 8.742638 BFGS: 161 18:57:43 -379.473042 7.021097 BFGS: 162 18:57:43 -380.353864 2.550920 BFGS: 163 18:57:43 -380.541369 0.941616 BFGS: 164 18:57:43 -380.594861 0.282537 BFGS: 165 18:57:43 -380.596610 0.037777 BFGS: 166 18:57:43 -380.596777 0.006827 BFGS: 167 18:57:43 -380.596778 0.002209 BFGS: 168 18:57:43 -380.596778 0.000190 BFGS: 169 18:57:43 -380.596778 0.000029 BFGS: 170 18:57:43 -380.596778 0.000002 BFGS: 171 18:57:44 -380.596778 0.000000 BFGS: 172 18:57:44 -380.596778 0.000000 Minimization converged after 172 steps. Maximum force component: 5.667306636095619e-09 eV/Angstrom Maximum stress component: 2.7191804246342305e-10 eV/Angstrom^3 ==== Minimized structure obtained from ASE ==== symbols = ['Cl', 'Cl', 'Cl', 'Cl', 'Na', 'Na', 'Na', 'Na', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O', 'O'] basis = [[0.18107663 0.18107663 0.18107663] [0.31892337 0.81892337 0.68107663] [0.81892337 0.68107663 0.31892337] [0.68107663 0.31892337 0.81892337] [0.85288214 0.85288214 0.85288214] [0.64711786 0.14711786 0.35288214] [0.14711786 0.35288214 0.64711786] [0.35288214 0.64711786 0.14711786] [0.22589139 0.97674429 0.42166212] [0.27410861 0.02325571 0.92166212] [0.77410861 0.47674429 0.07833788] [0.72589139 0.52325571 0.57833788] [0.42166212 0.22589139 0.97674429] [0.92166212 0.27410861 0.02325571] [0.07833788 0.77410861 0.47674429] [0.57833788 0.72589139 0.52325571] [0.97674429 0.42166212 0.22589139] [0.02325571 0.92166212 0.27410861] [0.47674429 0.07833788 0.77410861] [0.52325571 0.57833788 0.72589139]] cellpar = Cell([5.1114055759151915, 5.1114055759151915, 5.1114055759151915]) forces = [[ 7.49867439e-10 7.49867439e-10 7.49867439e-10] [-7.49867439e-10 -7.49867439e-10 7.49867439e-10] [-7.49867439e-10 7.49867439e-10 -7.49867439e-10] [ 7.49867439e-10 -7.49867439e-10 -7.49867439e-10] [-3.32417494e-09 -3.32417494e-09 -3.32417494e-09] [ 3.32417494e-09 3.32417494e-09 -3.32417494e-09] [ 3.32417494e-09 -3.32417494e-09 3.32417494e-09] [-3.32417494e-09 3.32417494e-09 3.32417494e-09] [ 5.66730664e-09 8.44505145e-10 1.74206251e-09] [-5.66730664e-09 -8.44505145e-10 1.74206251e-09] [-5.66730664e-09 8.44505145e-10 -1.74206251e-09] [ 5.66730664e-09 -8.44505145e-10 -1.74206251e-09] [ 1.74206251e-09 5.66730664e-09 8.44505145e-10] [ 1.74206251e-09 -5.66730664e-09 -8.44505145e-10] [-1.74206251e-09 -5.66730664e-09 8.44505145e-10] [-1.74206251e-09 5.66730664e-09 -8.44505145e-10] [ 8.44505145e-10 1.74206251e-09 5.66730664e-09] [-8.44505145e-10 1.74206251e-09 -5.66730664e-09] [ 8.44505145e-10 -1.74206251e-09 -5.66730664e-09] [-8.44505145e-10 -1.74206251e-09 5.66730664e-09]] stress = [-2.71918042e-10 -2.71918042e-10 -2.71918042e-10 0.00000000e+00 0.00000000e+00 0.00000000e+00] energy per atom = -19.029838898991002 =============================================== Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 0 Parameter sets [1] relaxed to duplicate structures, attempting to write only one of them. Successfully added property instance for parameter set 1