{ "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" [ [ 3.898067840533198e-09 -8.105256594147968e-09 -4.388146271615703e-09 ] [ -1.0845877757235562e-08 1.9199835742135776e-09 -1.3314181926833303e-08 ] [ -2.3363144563113065e-09 6.827129647746832e-09 9.49620337078533e-09 ] [ -1.1723731957156262e-09 2.2811997407734482e-09 -5.44507735461984e-10 ] [ 9.112256002982537e-09 8.471264069892343e-09 -1.001019765250418e-09 ] [ 5.436083856594304e-09 9.825315282435273e-09 6.306503636559168e-11 ] [ 1.671893477929232e-08 -7.243368404688864e-10 2.1988689791521905e-08 ] [ 1.336000610080013e-09 2.853302405046119e-09 -6.829068121240338e-09 ] [ 2.1512895566102144e-08 -7.1737240300299575e-09 2.4912096876570086e-09 ] [ -1.070127570959019e-09 6.53942022302563e-09 7.237096363871418e-09 ] [ 7.267790863572704e-09 4.202896362229986e-09 -2.0521189253548433e-09 ] [ 6.950686945260334e-09 -1.1383385262605946e-08 1.3197984387845106e-09 ] [ 6.349949539550078e-09 2.4675932678093265e-08 1.4603693780084184e-08 ] [ 6.6051876506975255e-09 3.561616197565709e-09 6.142463821932588e-09 ] [ -7.990250273477337e-10 -4.685458181696007e-09 3.99006065644032e-12 ] [ 1.503399660362126e-08 1.9105816172803344e-08 -5.063030328506977e-09 ] [ -6.804085220974541e-10 4.861899964891214e-09 -1.5442353452677268e-09 ] [ 7.030611846424267e-09 1.594227741931225e-09 -7.771532336442068e-10 ] [ 2.603367482491753e-08 -2.057146555590914e-09 1.3813852909779862e-08 ] [ 5.1029280511534625e-09 1.582483787300761e-09 6.942267667335693e-09 ] [ -3.09985127150832e-10 -6.520785306749106e-09 -6.246984537490731e-09 ] [ 1.0680628940130926e-08 -3.4178073875652943e-09 -1.1906283320459567e-08 ] [ -8.807547324096985e-09 -8.567534537159339e-09 1.6507594545160507e-08 ] [ 6.1187125148352005e-12 -5.7804912677900375e-09 5.054138248261536e-10 ] [ -9.00703016949358e-09 1.3436766382702656e-09 -1.9953204824061867e-09 ] [ -6.928751384927299e-09 3.698700351853302e-09 -9.411618859355127e-09 ] [ -2.3722761757405374e-08 1.2098507664893288e-08 1.9853859299206572e-08 ] [ -4.59200225809877e-09 1.365895944082844e-09 -1.4705602146662113e-09 ] [ 1.5637998444196397e-09 -4.150034467238634e-09 2.506788932682344e-09 ] [ 6.999500620583909e-09 -1.391375839536413e-09 -4.441426494922744e-09 ] [ -2.08827700755072e-12 -2.0787360457738563e-10 -1.3692447976338742e-08 ] [ 3.946546340507703e-09 -8.984139071023899e-09 1.941857851290867e-08 ] [ 4.201681752133757e-09 -1.3117854728509038e-09 -8.781715911092814e-10 ] [ -8.143490456373754e-10 6.887975829710278e-09 5.724944605435212e-09 ] [ -8.320256199681688e-09 1.5560830087908552e-08 -1.1014438273415392e-08 ] [ -2.6232575599547786e-09 2.20646909621415e-09 3.996862376848603e-09 ] [ 2.1035680210019733e-09 2.59695959311863e-09 -3.1109152623809164e-09 ] [ 3.2502358950134844e-09 1.1286028519590047e-09 -5.111196404040425e-09 ] [ 6.439415722926198e-09 -3.8746685316394005e-09 8.984107668362131e-10 ] [ 5.195578560563423e-09 2.010674942051624e-09 7.634116852029293e-10 ] [ 1.3986881576119779e-08 -3.3126373098227406e-09 4.4195494140363694e-09 ] [ 2.5945668544878282e-08 1.5914920093294427e-08 -2.035111035458507e-08 ] [ 1.3143199079820487e-08 3.0932631212435905e-10 2.6045811473037755e-09 ] [ 5.3374769351611945e-09 2.6632525347221472e-09 -1.4260073678479912e-09 ] [ -2.98664900171271e-09 1.354896681145728e-08 -6.119420837119255e-09 ] [ 5.5731849939540764e-09 7.2291518108795205e-09 7.004666518662355e-10 ] [ -5.7868815492420985e-09 -1.4811964243810542e-09 -3.0820153607125885e-09 ] [ -1.0312017286507104e-09 -2.4396239263441246e-09 6.8210766244734494e-09 ] [ -1.1141843999172056e-08 -1.0380649085541666e-08 -4.671399882936797e-09 ] [ -9.620349307989317e-09 -7.797711101337629e-09 -3.0135503482642524e-09 ] [ 4.026527798506349e-10 2.31436031072947e-09 9.885504732201853e-09 ] [ -6.198129365792677e-09 -1.2847734158948642e-09 -2.6225636572603102e-09 ] [ -9.903351377580944e-09 -2.3995208046548524e-09 7.236116953303124e-10 ] [ -2.284037964613663e-08 -6.32143944745359e-09 -1.097314281188492e-08 ] [ -1.2211882969763944e-08 5.611744098033884e-09 4.621924508668831e-09 ] [ -1.1214168174446913e-08 -5.884402355143966e-09 -9.294556625644685e-10 ] [ -1.2804543963346411e-08 -1.4837891627194298e-08 4.19479335397029e-09 ] [ -7.338361136100772e-09 -7.3919728497506585e-09 1.0805527740129024e-10 ] [ -3.3876757325108946e-09 -1.7974661053487403e-08 -7.442240179922285e-10 ] [ -1.6813311313575868e-08 -1.9863454895206205e-08 -2.331831870539866e-08 ] [ -9.089085965563175e-09 -5.859007695486624e-10 1.0228952439601728e-09 ] [ -7.216298509156813e-09 -7.803083199547172e-09 -2.124754403547122e-09 ] [ -3.801011024980714e-09 -4.993314496770782e-09 -3.852991242177639e-09 ] [ -1.1747923221953722e-08 -1.7044666258490037e-09 -1.3588739243892019e-09 ] ] "source-value" [ [ 2.4329826 -5.0589033 -2.7388655 ] [ -6.7694645 1.1983595 -8.3100588 ] [ -1.4582128 4.2611592 5.927064 ] [ -0.7317378 1.4238129 -0.339855 ] [ 5.6874229 5.2873472 -0.6247874 ] [ 3.3929367 6.1324795 0.0393621 ] [ 10.4351384 -0.4520955 13.7242608 ] [ 0.833866 1.7808913 -4.2623691 ] [ 13.4272934 -4.4774864 1.5548908 ] [ -0.6679211 4.0815851 4.5170403 ] [ 4.5361983 2.6232416 -1.2808319 ] [ 4.3382776 -7.1049503 0.8237534 ] [ 3.9633268 15.4015059 9.1149088 ] [ 4.1226339 2.222986 3.8338244 ] [ -0.4987122 -2.924433 0.0024904 ] [ 9.3834827 11.9249126 -3.160095 ] [ -0.4246776 3.0345593 -0.9638359 ] [ 4.3881628 0.9950387 -0.4850609 ] [ 16.2489419 -1.2839699 8.6219289 ] [ 3.1849972 0.9877087 4.3330227 ] [ -0.1934775 -4.0699541 -3.8990611 ] [ 6.6663243 -2.1332276 -7.4313176 ] [ -5.4972387 -5.3474345 10.3032302 ] [ 0.003819 -3.6078989 0.3154545 ] [ -5.6217461 0.838657 -1.2453811 ] [ -4.3245865 2.3085472 -5.8742705 ] [ -14.8065834 7.5512946 12.3918044 ] [ -2.8661024 0.8525252 -0.9178515 ] [ 0.9760471 -2.5902478 1.5646146 ] [ 4.3687447 -0.8684285 -2.7721204 ] [ -0.0013034 -0.1297445 -8.5461539 ] [ 2.4632405 -5.6074586 12.1201235 ] [ 2.6224835 -0.8187521 -0.5481116 ] [ -0.5082767 4.2991364 3.5732294 ] [ -5.1930955 9.7123063 -6.8746717 ] [ -1.6373086 1.3771697 2.4946453 ] [ 1.3129439 1.6208947 -1.9416806 ] [ 2.0286377 0.7044185 -3.1901579 ] [ 4.0191672 -2.4183779 0.5607439 ] [ 3.2428251 1.2549646 0.4764841 ] [ 8.7299249 -2.0675856 2.7584658 ] [ 16.1940127 9.9333119 -12.7021641 ] [ 8.2033397 0.1930663 1.6256517 ] [ 3.3313911 1.6622715 -0.8900438 ] [ -1.8641197 8.4566 -3.8194421 ] [ 3.4785085 4.5120817 0.4371969 ] [ -3.6118874 -0.9244901 -1.9236427 ] [ -0.6436255 -1.5226935 4.2573812 ] [ -6.9541921 -6.4790916 -2.9156585 ] [ -6.0045498 -4.8669485 -1.8809102 ] [ 0.2513161 1.4445101 6.1700468 ] [ -3.8685681 -0.8018925 -1.6368755 ] [ -6.1811858 -1.4976631 0.4516429 ] [ -14.2558438 -3.9455322 -6.8488971 ] [ -7.6220579 3.5025752 2.8847784 ] [ -6.9993333 -3.6727551 -0.5801206 ] [ -7.9919678 -9.2610836 2.6181841 ] [ -4.5802448 -4.6137066 0.0674428 ] [ -2.1144209 -11.2189011 -0.4645081 ] [ -10.4940436 -12.3977935 -14.5541499 ] [ -5.6729613 -0.3656905 0.638441 ] [ -4.5040593 -4.8703015 -1.3261674 ] [ -2.3724045 -3.1165818 -2.404848 ] [ -7.332477 -1.0638444 -0.8481424 ] ] } "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" 1.274559876394354e-17 "source-value" 79.551771 } }