{ "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" [ 10.8361 0 0 ] "si-unit" "m" "si-value" [ 1.08361e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.16509 9.32986 0 ] "si-unit" "m" "si-value" [ -5.16509e-10 9.32986e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.338382 0.285992 10.2675 ] "si-unit" "m" "si-value" [ 3.38382e-11 2.85992e-11 1.02675e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.226915 0.0279141 0.00178709 ] [ 0.00521394 -0.00120898 2.61988 ] [ 0.111086 -0.00441851 5.39688 ] [ -0.00811775 0.00988404 7.76446 ] [ -1.26892 2.00974 -0.128773 ] [ -1.51778 2.36617 2.46995 ] [ -1.29504 2.30049 5.2473 ] [ -1.58222 2.22335 7.67671 ] [ -2.57393 4.57709 0.303636 ] [ -2.71158 4.50657 2.20402 ] [ -2.29766 4.85067 5.36604 ] [ -2.53013 5.02991 7.91092 ] [ -4.04953 6.9583 -0.290266 ] [ -3.92011 6.89235 2.29412 ] [ -3.94024 6.80767 5.1746 ] [ -4.02059 6.91717 8.22515 ] [ 2.55027 0.0107665 0.137903 ] [ 2.73854 0.0758287 2.41415 ] [ 2.88705 0.428661 5.25833 ] [ 2.96792 0.198107 8.129 ] [ 1.17194 2.3249 0.241827 ] [ 1.411 2.209 2.91902 ] [ 1.2891 1.94714 4.88894 ] [ 1.29288 2.19289 7.8659 ] [ 0.00639291 4.77216 0.0234148 ] [ -0.0213263 4.6438 2.62467 ] [ -0.236535 4.59722 5.02665 ] [ 0.0198478 4.59769 7.81845 ] [ -1.31921 6.83806 0.0664341 ] [ -1.28766 6.8641 2.75104 ] [ -1.23014 7.04914 5.08588 ] [ -1.40792 7.24847 7.99066 ] [ 5.56053 0.0385699 0.241581 ] [ 5.15835 0.216277 2.54291 ] [ 5.29544 0.000750747 5.09452 ] [ 5.36985 0.0699487 7.97644 ] [ 4.01598 2.01186 -0.260287 ] [ 4.01533 2.24671 2.48669 ] [ 3.98846 2.29098 4.91301 ] [ 4.10827 2.29632 7.85242 ] [ 2.56747 4.49522 -0.138841 ] [ 2.86035 4.53832 2.45489 ] [ 2.68672 4.96676 5.26116 ] [ 2.68347 4.4963 7.37849 ] [ 1.31877 6.83213 0.0410508 ] [ 1.66677 6.5533 2.52828 ] [ 1.32642 6.86023 5.17956 ] [ 1.00003 7.08995 7.7783 ] [ 7.8962 0.0196713 0.322052 ] [ 7.8775 -0.259473 2.75098 ] [ 7.6397 0.0359307 5.05376 ] [ 7.97203 0.0567385 7.89895 ] [ 6.56802 2.27165 -0.144672 ] [ 6.42437 2.2899 2.41541 ] [ 6.57384 2.26553 5.04812 ] [ 6.62454 2.30565 7.76409 ] [ 5.0871 4.70438 -0.418777 ] [ 5.46675 4.43674 2.45804 ] [ 5.64549 4.39342 5.3916 ] [ 5.30187 4.59667 7.61215 ] [ 3.96645 6.8464 -0.0435212 ] [ 4.05575 6.85317 2.31994 ] [ 4.07639 6.7929 5.46762 ] [ 3.90254 6.79284 7.72497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.26915e-11 2.79141e-12 1.78709e-13 ] [ 5.21394e-13 -1.20898e-13 2.6198800000000003e-10 ] [ 1.11086e-11 -4.41851e-13 5.39688e-10 ] [ -8.11775e-13 9.88404e-13 7.76446e-10 ] [ -1.26892e-10 2.00974e-10 -1.28773e-11 ] [ -1.51778e-10 2.36617e-10 2.46995e-10 ] [ -1.29504e-10 2.30049e-10 5.2473e-10 ] [ -1.5822200000000001e-10 2.2233500000000001e-10 7.67671e-10 ] [ -2.57393e-10 4.57709e-10 3.03636e-11 ] [ -2.71158e-10 4.50657e-10 2.20402e-10 ] [ -2.2976600000000002e-10 4.85067e-10 5.36604e-10 ] [ -2.53013e-10 5.02991e-10 7.91092e-10 ] [ -4.04953e-10 6.958300000000001e-10 -2.9026600000000004e-11 ] [ -3.9201100000000003e-10 6.89235e-10 2.29412e-10 ] [ -3.9402400000000003e-10 6.80767e-10 5.1746e-10 ] [ -4.0205900000000005e-10 6.917169999999999e-10 8.225149999999999e-10 ] [ 2.5502699999999997e-10 1.07665e-12 1.37903e-11 ] [ 2.73854e-10 7.58287e-12 2.41415e-10 ] [ 2.88705e-10 4.28661e-11 5.258330000000001e-10 ] [ 2.96792e-10 1.98107e-11 8.129e-10 ] [ 1.17194e-10 2.3249000000000002e-10 2.41827e-11 ] [ 1.411e-10 2.209e-10 2.91902e-10 ] [ 1.2891e-10 1.9471400000000003e-10 4.88894e-10 ] [ 1.29288e-10 2.19289e-10 7.8659e-10 ] [ 6.39291e-13 4.772160000000001e-10 2.3414800000000002e-12 ] [ -2.13263e-12 4.6438e-10 2.62467e-10 ] [ -2.36535e-11 4.59722e-10 5.02665e-10 ] [ 1.98478e-12 4.59769e-10 7.818450000000001e-10 ] [ -1.31921e-10 6.83806e-10 6.64341e-12 ] [ -1.28766e-10 6.8641e-10 2.7510400000000005e-10 ] [ -1.23014e-10 7.04914e-10 5.085880000000001e-10 ] [ -1.40792e-10 7.24847e-10 7.990660000000001e-10 ] [ 5.56053e-10 3.85699e-12 2.41581e-11 ] [ 5.158350000000001e-10 2.16277e-11 2.54291e-10 ] [ 5.29544e-10 7.50747e-14 5.094520000000001e-10 ] [ 5.36985e-10 6.994870000000001e-12 7.976440000000001e-10 ] [ 4.01598e-10 2.01186e-10 -2.60287e-11 ] [ 4.01533e-10 2.2467100000000002e-10 2.4866899999999997e-10 ] [ 3.98846e-10 2.29098e-10 4.91301e-10 ] [ 4.1082700000000004e-10 2.2963200000000003e-10 7.852420000000001e-10 ] [ 2.5674700000000004e-10 4.49522e-10 -1.38841e-11 ] [ 2.86035e-10 4.53832e-10 2.45489e-10 ] [ 2.6867200000000003e-10 4.966760000000001e-10 5.26116e-10 ] [ 2.68347e-10 4.4963e-10 7.378490000000001e-10 ] [ 1.3187700000000001e-10 6.832130000000001e-10 4.10508e-12 ] [ 1.66677e-10 6.553300000000001e-10 2.5282800000000003e-10 ] [ 1.32642e-10 6.86023e-10 5.179560000000001e-10 ] [ 1.00003e-10 7.08995e-10 7.7783e-10 ] [ 7.896200000000001e-10 1.96713e-12 3.22052e-11 ] [ 7.877500000000001e-10 -2.59473e-11 2.7509800000000005e-10 ] [ 7.639700000000001e-10 3.5930700000000006e-12 5.053759999999999e-10 ] [ 7.97203e-10 5.67385e-12 7.898950000000001e-10 ] [ 6.56802e-10 2.2716500000000004e-10 -1.44672e-11 ] [ 6.42437e-10 2.2899e-10 2.4154100000000003e-10 ] [ 6.57384e-10 2.26553e-10 5.048120000000001e-10 ] [ 6.62454e-10 2.30565e-10 7.764090000000001e-10 ] [ 5.087100000000001e-10 4.70438e-10 -4.1877700000000005e-11 ] [ 5.466750000000001e-10 4.4367400000000006e-10 2.45804e-10 ] [ 5.64549e-10 4.39342e-10 5.3916e-10 ] [ 5.30187e-10 4.59667e-10 7.61215e-10 ] [ 3.9664500000000003e-10 6.8464e-10 -4.352120000000001e-12 ] [ 4.0557499999999997e-10 6.85317e-10 2.31994e-10 ] [ 4.07639e-10 6.7929e-10 5.46762e-10 ] [ 3.90254e-10 6.79284e-10 7.72497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.2192063 -1.1657491 0.2376023 ] [ 2.3113723 -0.25471 1.6978407 ] [ 1.1019518 -3.8571795 -4.1416311 ] [ -2.0327662 -0.5283811 1.2265822 ] [ -1.4899751 0.2286547 1.0515262 ] [ 2.2827342 -1.0043212 3.3492367 ] [ 0.467787 0.18232170000000003 -3.8650681 ] [ 1.2150861 -0.872746 0.5293228 ] [ 1.2241986 0.07784920000000015 -14.9495456 ] [ -0.8714235 1.1279231999999997 13.2523047 ] [ -6.2852869 -0.6475292 2.2144089 ] [ 0.8384437 -1.0901355 -0.1754498 ] [ 3.2101396 1.8945928999999997 21.3203921 ] [ -3.5309218 0.6313793 3.3017126 ] [ -3.3812703 1.1417965 -2.8039459 ] [ -3.0357529 0.24294630000000023 -21.0571798 ] [ 1.971668 -0.4518034 0.0504477 ] [ -1.8556732 -2.382412 2.7502354 ] [ -1.5112891 -5.8812014 2.3556791 ] [ -2.07676 0.2860672000000001 -3.462975 ] [ 0.1717556 0.7339383 -0.2779009 ] [ 0.0915691 3.52776 -10.9574045 ] [ -1.7868902 2.9243057 8.6850813 ] [ 1.1778203 2.6983754 0.7462215 ] [ -0.3159452 -2.8943948 0.2741838 ] [ -1.4683284 -3.7524687 -0.7243662 ] [ 7.0259681 0.6799343 2.0342396 ] [ 1.3210459 -1.6542024 -2.1378221 ] [ -2.8092692 1.7750166 1.6287754 ] [ -2.4889606 1.0786799 -2.5401974 ] [ -1.7848021 -0.042940900000000004 0.8311985 ] [ -0.8026129 -0.1493789 -1.259661 ] [ -1.3397181 -1.8557197 -1.8327448 ] [ 3.1322321 -2.8875871 1.8972927 ] [ -1.1057635 -0.9037838 0.7365633 ] [ 1.2269532 0.159767 -1.005674 ] [ 0.2943121 0.6456716999999998 5.8644591 ] [ -2.2567023 2.5343497 -1.7130721 ] [ 2.8880198 4.4859826 -0.1730579 ] [ -1.3961045 1.4330065 -3.8985032 ] [ 0.8343535 0.12471520000000001 -1.1369382 ] [ 0.1313109 -2.5515375 1.1435394 ] [ 0.5053448 -1.1632548 -5.1550241 ] [ -1.1365327 -1.8485639 6.0696308 ] [ 0.0001336 1.27143 -0.5523239 ] [ -1.248364 3.3135907 1.538693 ] [ 0.4495462 2.7681544 -0.3857207 ] [ 1.2385189 -1.7352119 -0.4751131 ] [ 3.0309702 -0.7566671 -3.2992733 ] [ -1.8176611 -2.3585254 -1.0703521 ] [ 0.906483 -2.1452603 2.5647933 ] [ 3.1436595 -2.6973327 0.3569076 ] [ 0.0598132 1.8157731 1.5766796 ] [ 3.6345968 -0.0634983 0.3656528 ] [ 0.8524624 -1.1750501 1.2796848 ] [ 1.0794587 0.24653100000000003 -3.2161601 ] [ 0.9468086 -1.5403391 4.0480263 ] [ -0.5502106 5.2047186 -0.637875 ] [ -0.5059676 3.5417885 -2.3554144 ] [ -0.1755881 0.0938364 0.3434983 ] [ -1.402562 1.8939546 -0.8324704 ] [ 3.2259848 -1.4972264 0.7347104 ] [ 2.3664176 0.4773126 -1.8847445 ] [ -1.6766117 2.5669885 1.9204864 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.5555604798855944e-09 -1.8677359691265296e-09 3.806808532446582e-10 ] [ 3.703226691534838e-09 -4.0809041044613997e-10 2.7202406977942037e-09 ] [ 1.765521425754241e-09 -6.179882868043803e-09 -6.635624575067717e-09 ] [ -3.256850508024971e-09 -8.465598522672175e-10 1.9652013405203148e-09 ] [ -2.3872032904618134e-09 3.663452175942798e-10 1.684730707678811e-09 ] [ 3.657343396872683e-09 -1.6090999596708406e-09 5.366068782475268e-09 ] [ 7.49477401088958e-10 2.9211156761115787e-10 -6.192521798638775e-09 ] [ 1.946782557718187e-09 -1.398293248616964e-09 8.480686220034551e-10 ] [ 1.9613823922955124e-09 1.2472816921559303e-10 -2.395181264923751e-08 ] [ -1.396174370018499e-09 1.8071321959865083e-09 2.123253293698838e-08 ] [ -1.0070139809166294e-08 -1.037456154072713e-09 3.5478741977016424e-09 ] [ 1.3433349050645058e-09 -1.7465896259939069e-09 -2.8110156999997317e-10 ] [ 5.1432106589981065e-09 3.035472475322298e-09 3.415903405033819e-08 ] [ -5.657160404441222e-09 1.0115811616512762e-09 5.2899267799033885e-09 ] [ -5.41739226789817e-09 1.829359673082981e-09 -4.4924166039801005e-09 ] [ -4.863812362977739e-09 3.8924288517675456e-10 -3.3737321453496794e-08 ] [ 3.158960399605512e-09 -7.238688506417556e-10 8.08261261790418e-11 ] [ -2.973116241380009e-09 -3.817044838961208e-09 4.4063628958796436e-09 ] [ -2.4213520832388893e-09 -9.422723462928088e-09 3.774214011222149e-09 ] [ -3.32733634642584e-09 4.583301835938049e-10 -5.54829762912615e-09 ] [ 2.7518280907865044e-10 1.1758987950576824e-09 -4.452463285475706e-10 ] [ 1.467098724164094e-10 5.65209464235984e-09 -1.7555697459186455e-08 ] [ -2.8629137259635868e-09 4.685254263213014e-09 1.3915034323250345e-08 ] [ 1.8870761637108703e-09 4.3232740156404035e-09 1.195578651088431e-09 ] [ -5.062000170644567e-10 -4.637331718131104e-09 4.3929087778132916e-10 ] [ -2.3525214535186056e-09 -6.012117670956356e-09 -1.1605626000993708e-09 ] [ 1.1256841921049376e-08 1.0893748481151462e-09 3.2592111550775062e-09 ] [ 2.116548873421501e-09 -2.6503244331867217e-09 -3.4251686162688117e-09 ] [ -4.500945470855873e-09 2.8438901214821243e-09 2.609585887914004e-09 ] [ -3.98775451626662e-09 1.7282357313454566e-09 -4.069844920027551e-09 ] [ -2.8595682209341316e-09 -6.87989066229306e-11 1.331726814915849e-09 ] [ -1.2859276345269785e-09 -2.393313831926226e-10 -2.0181994209610737e-09 ] [ -2.1464650359668755e-09 -2.97319074259349e-09 -2.936380894645003e-09 ] [ 5.018389082884751e-09 -4.626424580259822e-09 3.0397980317987716e-09 ] [ -1.7716284424300588e-09 -1.4480212865477293e-09 1.1801045087219323e-09 ] [ 1.9657957480515288e-09 2.55974954284278e-10 -1.611267384221316e-09 ] [ 4.715399697234714e-10 1.0344801109750576e-09 9.39589934106867e-09 ] [ -3.6156356949540585e-09 4.0604758717249094e-09 -2.7446440909773114e-09 ] [ 4.627117842089353e-09 7.187336502250568e-09 -2.7726932370910856e-10 ] [ -2.236806008522253e-09 2.295929530670121e-09 -6.246090734614229e-09 ] [ 1.3367816821961189e-09 1.9981577934463683e-10 -1.8215758183420186e-09 ] [ 2.1038325576951061e-10 -4.088013763274775e-09 1.8321521067383797e-09 ] [ 8.096516306734033e-10 -1.863739659948343e-09 -8.25925916072688e-09 ] [ -1.820926135716932e-09 -2.961725887035913e-09 9.724620644766726e-09 ] [ 2.140507983024e-13 2.03705543776662e-09 -8.849204469797526e-10 ] [ -2.000099631526776e-09 5.3089575941797036e-09 2.465257971499362e-09 ] [ 7.202524175434908e-10 4.43507229898429e-09 -6.179926927901239e-10 ] [ 1.9843260423473827e-09 -2.7801159612187447e-09 -7.612151073273054e-10 ] [ 4.856149632790307e-09 -1.2123143473365414e-09 -5.286018590440072e-09 ] [ -2.9122141429507373e-09 -3.778774286575503e-09 -1.7148931247728314e-09 ] [ 1.4523458817182222e-09 -3.43708592650783e-09 4.109251896299752e-09 ] [ 5.036697796152123e-09 -4.321603426064132e-09 5.718290172170184e-10 ] [ 9.583131144476879e-11 2.9091892334657454e-09 2.5261192144244666e-09 ] [ 5.823266066971172e-09 -1.0173549255872219e-10 5.858403723166752e-10 ] [ 1.3657953386435616e-09 -1.8826378139993632e-09 2.0502810854449635e-09 ] [ 1.7294835065080157e-09 3.9498620775665404e-10 -5.152856563423104e-09 ] [ 1.5169546157902524e-09 -2.4678953144565895e-09 6.485653151677475e-09 ] [ -8.815345670991203e-10 8.338878527465193e-09 -1.02198842041275e-09 ] [ -8.106494662810583e-10 5.674570777269909e-09 -3.773789915067129e-09 ] [ -2.813231510284554e-10 1.503424874986776e-10 5.503449500787222e-10 ] [ -2.247152064136308e-09 3.0344498059768166e-09 -1.3337646233766336e-09 ] [ 5.1685974681991635e-09 -2.3988211538879376e-09 1.1771358356367935e-09 ] [ 3.791418985006359e-09 7.647390948337884e-10 -3.019693598960013e-09 ] [ -2.6862280900310177e-09 4.112768994446709e-09 3.0769584359947776e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -220.56888 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.533903057235499e-17 } }