{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05856e-09 0.0 0.0 ] "source-value" [ 10.5856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] "source-value" [ -5.4462 9.06493 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] "source-value" [ -0.279622 0.188792 10.3176 ] } "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" [ [ 1.2980737248947731e-09 -2.5810148916060903e-09 -3.6731174364430154e-09 ] [ -6.783713545241068e-09 -1.1750949733590412e-09 -7.237562917703395e-09 ] [ -2.3242185034772526e-09 4.209761368614789e-09 8.217722183133336e-09 ] [ -1.96136074675171e-09 3.530715978386312e-09 7.326870645811719e-10 ] [ 4.436874070272403e-09 4.359399538032323e-09 -4.010738347908364e-09 ] [ -1.3019796712786215e-09 4.965798395049838e-09 -3.1897902572052387e-09 ] [ 6.839172728752399e-09 2.2786888095733307e-09 9.45810457204868e-09 ] [ -9.084549722896704e-10 -1.56344400099216e-10 -6.453786766561787e-09 ] [ 1.095773724280528e-08 -2.4002499552349786e-09 1.3078835319086074e-09 ] [ -3.1067252500822005e-09 2.604390007632914e-09 3.614137149372154e-09 ] [ 2.7277028129940827e-09 1.9990021240631233e-10 1.155185044927684e-09 ] [ 6.9632339108131425e-09 -7.3086337102078e-09 -2.0776074725621646e-09 ] [ 5.5402301434761655e-09 1.581049695029249e-08 5.170781833220963e-09 ] [ 3.304547439411335e-09 -6.923822288553409e-11 1.2434515184501491e-09 ] [ 7.933068589880986e-10 -2.470670744684325e-09 -2.0024615438227544e-09 ] [ 7.641044183084646e-09 1.254363014151978e-08 -4.871840990170291e-09 ] [ 1.6683333773907495e-09 4.444270999295313e-09 -1.0613580572250702e-09 ] [ 9.470335428154205e-09 1.764146102797183e-09 -9.556164830818772e-10 ] [ 1.810902711513781e-08 -2.1523480506165122e-11 8.420423480925792e-09 ] [ 5.534280620812487e-09 3.0811928032354697e-09 2.924800978708278e-09 ] [ 2.1721176283758877e-09 -2.3648511445396994e-09 -2.948460641302956e-09 ] [ 9.13056503653439e-09 -6.579033879757248e-11 -6.6585716950495956e-09 ] [ -2.3239280288559012e-09 -3.363113563825721e-09 1.1121028200079298e-08 ] [ -2.118846537475584e-11 -2.25785891132631e-09 2.7857237167044096e-10 ] [ -4.929008895047705e-09 9.25711536019321e-10 -2.090459332325912e-09 ] [ -3.3804297285256642e-09 4.264255721365073e-09 -4.800027268366821e-09 ] [ -1.1138230289803842e-08 5.439816767903105e-09 9.970119204334867e-09 ] [ -3.0838176491933263e-09 5.474515747850419e-10 -1.1292881028997209e-09 ] [ 4.4066866594716e-09 -1.466424195719616e-11 -1.8270932189634836e-09 ] [ 4.558291180255842e-09 1.528582720553159e-09 -1.1505042859300166e-09 ] [ 1.1574840081608699e-09 1.955744957478144e-11 -1.656666038846292e-08 ] [ 4.474127240188597e-09 -2.4566550638232288e-09 1.9642125730714355e-08 ] [ 2.450679105245307e-09 -1.7886930508044597e-09 -2.423828868127968e-10 ] [ 1.5381023733809664e-09 2.5633467287025564e-09 2.870675607233764e-09 ] [ -4.905536847335323e-09 6.674318207314142e-09 -6.14835118014338e-09 ] [ -1.5861942681368717e-09 2.4186104186563605e-09 4.7373791183579615e-09 ] [ -5.831296448653267e-10 -1.5054444062308896e-09 -2.376402197105019e-09 ] [ 3.466118780518249e-09 -1.6478899241446657e-10 -2.311589987134445e-09 ] [ 5.592278613397137e-09 -2.0254106410861075e-09 -2.7726755903046145e-10 ] [ 3.6666055497854362e-09 -3.3700231107205826e-09 -1.347574733988672e-09 ] [ 7.955553857012617e-09 -5.761202823669889e-10 2.95038437477155e-09 ] [ 1.257223748573715e-08 7.197352770615854e-09 -9.646013774189601e-09 ] [ 6.280613103237688e-09 -9.53966241162453e-10 3.5709019326068794e-09 ] [ -1.0595599344035464e-09 1.5374615027326464e-09 7.480248615897523e-10 ] [ -9.587077226540488e-10 6.649455630512568e-09 -3.3780777332463307e-09 ] [ 1.9019403417631144e-09 5.951494943098924e-09 -2.5201365058925667e-09 ] [ -3.5405850659351156e-09 -2.322085846177306e-10 -4.234847288837303e-09 ] [ -1.669777739614401e-09 -1.1249361105446419e-09 2.3210465142033927e-09 ] [ -6.908022584025051e-09 -8.411738722335083e-09 -2.207277234101681e-09 ] [ -9.012437355371117e-09 -4.305609021471556e-09 1.003637882066467e-09 ] [ -1.1713902603587653e-09 4.262948024807177e-09 6.139312981390122e-09 ] [ -3.7017714040000516e-09 4.761452623173793e-10 7.996404233877831e-10 ] [ -5.101297516006474e-09 -2.310398448381556e-09 1.7421897141680774e-09 ] [ -1.3370298803847473e-08 -2.766548546471351e-09 -3.8919158027446505e-09 ] [ -8.963830521049286e-09 3.899714237228732e-09 7.612014825545356e-09 ] [ -4.71353889045812e-09 -2.9487962973050134e-09 -7.72543451070841e-10 ] [ -9.610171801441008e-09 -1.1638273137944087e-08 4.503059666042327e-09 ] [ -4.095574401068035e-09 -4.339743073942376e-09 3.426471317859932e-09 ] [ -2.75620361246617e-10 -1.3490311606022779e-08 -1.6731554483663713e-09 ] [ -1.1100851349022915e-08 -1.546397290356302e-08 -9.746411288214116e-09 ] [ -7.074239596461637e-09 3.033216745849248e-10 1.6584282408679774e-09 ] [ -5.534905629912261e-09 -5.977819025413994e-09 -3.1121705677633134e-09 ] [ -1.9773488672506735e-09 -5.664601346713035e-09 -2.0665165651223387e-09 ] [ -8.429454950537241e-09 1.3131705545395853e-09 1.317389566235138e-09 ] ] "source-value" [ [ 0.8101939 -1.6109428 -2.2925796 ] [ -4.234061 -0.7334366 -4.5173315 ] [ -1.4506631 2.6275264 5.1290988 ] [ -1.2241851 2.2036996 0.4573073 ] [ 2.769279 2.7209232 -2.503306 ] [ -0.8126318 3.0994076 -1.9909105 ] [ 4.2686759 1.4222457 5.9032846 ] [ -0.567013 -0.0975825 -4.0281369 ] [ 6.8392817 -1.4981182 0.8163167 ] [ -1.9390654 1.6255324 2.255767 ] [ 1.7024982 0.1247679 0.7210098 ] [ 4.3461088 -4.5616904 -1.2967406 ] [ 3.4579397 9.8681361 3.2273482 ] [ 2.0625363 -0.0432151 0.7761014 ] [ 0.4951432 -1.5420714 -1.2498382 ] [ 4.7691647 7.8291182 -3.040764 ] [ 1.0412918 2.7738958 -0.6624476 ] [ 5.9109185 1.1010934 -0.5964489 ] [ 11.3027658 -0.0134339 5.255615 ] [ 3.4542263 1.9231293 1.8255172 ] [ 1.3557292 -1.476024 -1.8402844 ] [ 5.6988505 -0.0410631 -4.1559536 ] [ -1.4504818 -2.0990904 6.9411999 ] [ -0.0132248 -1.4092447 0.1738712 ] [ -3.0764454 0.5777837 -1.3047621 ] [ -2.1098983 2.6615391 -2.9959414 ] [ -6.9519366 3.3952666 6.222859 ] [ -1.9247676 0.3416924 -0.7048462 ] [ 2.7504375 -0.0091527 -1.1403819 ] [ 2.8450616 0.9540663 -0.7180883 ] [ 0.7224447 0.0122068 -10.3400962 ] [ 2.7925306 -1.5333235 12.2596507 ] [ 1.5295936 -1.1164144 -0.1512835 ] [ 0.960008 1.5999152 1.7917348 ] [ -3.0617953 4.1657818 -3.837499 ] [ -0.9900246 1.5095779 2.9568395 ] [ -0.3639609 -0.9396245 -1.4832336 ] [ 2.1633812 -0.1028532 -1.442781 ] [ 3.4904258 -1.2641619 -0.1730568 ] [ 2.2885152 -2.103403 -0.84109 ] [ 4.9654662 -0.359586 1.8414851 ] [ 7.8469735 4.4922343 -6.0205683 ] [ 3.9200504 -0.5954189 2.2287817 ] [ -0.6613253 0.959608 0.4668804 ] [ -0.5983783 4.1502638 -2.1084303 ] [ 1.1870978 3.714631 -1.5729455 ] [ -2.2098594 -0.1449332 -2.6431838 ] [ -1.0421933 -0.7021299 1.4486833 ] [ -4.3116486 -5.2501944 -1.3776741 ] [ -5.625121 -2.6873498 0.6264215 ] [ -0.7311243 2.6607229 3.8318578 ] [ -2.310464 0.2971865 0.4990963 ] [ -3.1839795 -1.4420373 1.0873893 ] [ -8.3450842 -1.7267438 -2.4291428 ] [ -5.594783 2.4340102 4.751046 ] [ -2.9419596 -1.8404939 -0.4821837 ] [ -5.9981975 -7.2640388 2.8105888 ] [ -2.5562565 -2.7086546 2.1386352 ] [ -0.1720287 -8.4199903 -1.0443015 ] [ -6.9286065 -9.6518528 -6.0832315 ] [ -4.4153931 0.1893185 1.0351095 ] [ -3.4546164 -3.7310612 -1.9424641 ] [ -1.2341641 -3.5355661 -1.2898182 ] [ -5.261252 0.8196166 0.8222499 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 2.64946e-10 1.00672e-11 8.99987e-12 ] [ 2.34792e-10 -5.68394e-12 2.50299e-10 ] [ 2.16376e-10 2.5261e-11 4.92835e-10 ] [ 2.29899e-10 1.74675e-11 7.95102e-10 ] [ 1.22435e-10 2.52218e-10 -1.06384e-11 ] [ 9.573e-11 2.48507e-10 2.89269e-10 ] [ 1.19859e-10 2.5471e-10 5.01782e-10 ] [ 1.1026499999999999e-10 2.5116399999999997e-10 7.82102e-10 ] [ 2.6580900000000003e-11 4.85078e-10 8.773760000000001e-13 ] [ -2.0871100000000003e-11 4.43865e-10 2.5349700000000003e-10 ] [ 1.76284e-11 4.84074e-10 4.94991e-10 ] [ -2.5392e-11 4.74744e-10 7.764770000000001e-10 ] [ -1.65563e-10 6.92317e-10 9.57015e-12 ] [ -1.4574700000000001e-10 6.84972e-10 2.45262e-10 ] [ -1.68993e-10 7.06359e-10 5.38303e-10 ] [ -1.59978e-10 7.00696e-10 7.18415e-10 ] [ 5.06785e-10 9.23991e-12 1.78855e-11 ] [ 4.8986e-10 1.1394000000000001e-11 2.76417e-10 ] [ 5.447560000000001e-10 1.54347e-11 5.525159999999999e-10 ] [ 4.812109999999999e-10 3.07407e-11 7.61283e-10 ] [ 4.0923400000000003e-10 2.51394e-10 -2.80987e-12 ] [ 3.66159e-10 2.5099700000000004e-10 2.49044e-10 ] [ 3.7568000000000004e-10 2.35138e-10 5.32247e-10 ] [ 3.52485e-10 2.8470300000000004e-10 7.851600000000001e-10 ] [ 2.41741e-10 4.60396e-10 2.1312100000000002e-11 ] [ 2.23357e-10 4.703509999999999e-10 2.9834200000000004e-10 ] [ 2.68435e-10 4.58157e-10 5.09325e-10 ] [ 2.36938e-10 4.840110000000001e-10 7.83278e-10 ] [ 1.23197e-10 6.85774e-10 -3.54973e-11 ] [ 1.03514e-10 6.993280000000001e-10 2.2988400000000002e-10 ] [ 1.1221000000000002e-10 7.01945e-10 5.15496e-10 ] [ 1.0445700000000001e-10 7.05661e-10 7.65948e-10 ] [ 8.03473e-10 2.4606300000000003e-11 4.2580800000000006e-11 ] [ 7.839730000000001e-10 1.55836e-11 2.6441200000000004e-10 ] [ 7.948240000000001e-10 -2.91046e-12 5.41958e-10 ] [ 7.79487e-10 3.27794e-11 8.006360000000001e-10 ] [ 6.54326e-10 2.36157e-10 4.43569e-11 ] [ 6.58001e-10 2.40647e-10 2.9796700000000003e-10 ] [ 6.74105e-10 2.32551e-10 5.05787e-10 ] [ 6.35624e-10 2.3677899999999997e-10 8.105930000000001e-10 ] [ 5.584469999999999e-10 4.85785e-10 3.31316e-11 ] [ 5.18105e-10 4.71119e-10 2.66831e-10 ] [ 5.113470000000001e-10 4.91069e-10 5.65221e-10 ] [ 5.262590000000001e-10 5.22511e-10 8.025510000000001e-10 ] [ 3.84325e-10 6.898500000000001e-10 2.90269e-11 ] [ 3.8973e-10 7.018220000000001e-10 2.77996e-10 ] [ 3.85324e-10 7.1029e-10 5.03452e-10 ] [ 3.69095e-10 7.15117e-10 7.826260000000001e-10 ] ] "source-value" [ [ -0.0680542 0.163652 0.255954 ] [ 0.0999824 0.0476252 2.72693 ] [ -0.118852 0.128026 4.88578 ] [ -0.181823 0.243541 7.84184 ] [ -1.38184 2.22897 -0.108646 ] [ -1.30117 2.39414 2.29388 ] [ -1.7062 2.39552 4.81294 ] [ -1.61019 2.58763 7.79003 ] [ -2.70858 4.54239 -0.151845 ] [ -2.69884 4.68625 2.76596 ] [ -2.86548 4.77395 4.97841 ] [ -2.99159 4.6637 7.94938 ] [ -4.1901 6.67321 -0.399259 ] [ -4.08937 6.83628 2.32301 ] [ -4.1903 6.93981 5.23022 ] [ -4.25869 7.02167 7.61028 ] [ 2.64946 0.100672 0.0899987 ] [ 2.34792 -0.0568394 2.50299 ] [ 2.16376 0.25261 4.92835 ] [ 2.29899 0.174675 7.95102 ] [ 1.22435 2.52218 -0.106384 ] [ 0.9573 2.48507 2.89269 ] [ 1.19859 2.5471 5.01782 ] [ 1.10265 2.51164 7.82102 ] [ 0.265809 4.85078 0.00877376 ] [ -0.208711 4.43865 2.53497 ] [ 0.176284 4.84074 4.94991 ] [ -0.25392 4.74744 7.76477 ] [ -1.65563 6.92317 0.0957015 ] [ -1.45747 6.84972 2.45262 ] [ -1.68993 7.06359 5.38303 ] [ -1.59978 7.00696 7.18415 ] [ 5.06785 0.0923991 0.178855 ] [ 4.8986 0.11394 2.76417 ] [ 5.44756 0.154347 5.52516 ] [ 4.81211 0.307407 7.61283 ] [ 4.09234 2.51394 -0.0280987 ] [ 3.66159 2.50997 2.49044 ] [ 3.7568 2.35138 5.32247 ] [ 3.52485 2.84703 7.8516 ] [ 2.41741 4.60396 0.213121 ] [ 2.23357 4.70351 2.98342 ] [ 2.68435 4.58157 5.09325 ] [ 2.36938 4.84011 7.83278 ] [ 1.23197 6.85774 -0.354973 ] [ 1.03514 6.99328 2.29884 ] [ 1.1221 7.01945 5.15496 ] [ 1.04457 7.05661 7.65948 ] [ 8.03473 0.246063 0.425808 ] [ 7.83973 0.155836 2.64412 ] [ 7.94824 -0.0291046 5.41958 ] [ 7.79487 0.327794 8.00636 ] [ 6.54326 2.36157 0.443569 ] [ 6.58001 2.40647 2.97967 ] [ 6.74105 2.32551 5.05787 ] [ 6.35624 2.36779 8.10593 ] [ 5.58447 4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.287882259241143e-17 "source-value" -142.79838 } }