{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.06893572e-09 0.0 0.0 ] "source-value" [ 10.6893572 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 1.06893572e-09 0.0 ] "source-value" [ 0 10.6893572 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 0.0 1.06893572e-09 ] "source-value" [ 0 0 10.6893572 ] } "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" [ [ 6.977498409703449e-10 -2.9359149574914435e-10 5.719440487872115e-10 ] [ -1.2125702049548776e-09 -7.46554063451858e-10 1.141670524913574e-09 ] [ -6.051196792034688e-11 2.8855215360197587e-09 -2.8039212387634563e-11 ] [ 3.7611064129747587e-10 -9.082144855788882e-10 -6.854794111022862e-10 ] [ -1.1138676335775073e-09 -5.600536552136064e-10 -1.5560203156196832e-09 ] [ 1.6335490014295469e-09 -1.3815411987849562e-09 -4.961051786593055e-10 ] [ 2.712068453092992e-10 1.695484983930461e-09 -1.4328536287663316e-09 ] [ -6.523824475581101e-10 -3.10886351500032e-11 6.594930676188826e-10 ] [ -1.0035356631980603e-09 -6.279204149117357e-10 1.6104499404344873e-09 ] [ 2.293259484415872e-11 5.785863526217242e-10 -2.853963623337523e-10 ] [ 1.1494502139311923e-09 3.969165068951847e-10 4.958028479309607e-10 ] [ -1.3722107630160654e-09 -5.115647410910669e-10 1.2069345486912134e-09 ] [ 6.552993703139386e-10 9.741458159190912e-11 -3.343399741812749e-10 ] [ -1.8397601875451903e-10 9.910213820483156e-10 1.1090897826766196e-09 ] [ -5.768542394769773e-10 1.112040992012133e-09 2.1183466583698943e-10 ] [ -3.688364390037197e-10 8.455551203336831e-10 -1.538802364346594e-09 ] [ 4.2611377254433346e-10 -4.892050846065063e-10 -7.573415186397043e-10 ] [ -1.6421703138260717e-09 -4.350833981382202e-10 5.518489087384896e-10 ] [ 1.3355457521373678e-09 2.692041245332992e-10 -5.693321804599834e-10 ] [ 3.1570313529280515e-10 1.402289225806654e-09 -8.242913526577498e-10 ] [ -2.349816319130112e-10 3.7212490651791167e-10 1.030259809015342e-09 ] [ -1.2479738221800192e-10 7.200365984186593e-10 -7.553166878263373e-10 ] [ 7.623021778930252e-10 -1.2616998295080748e-09 -5.676529391437229e-10 ] [ -3.9572000139477124e-11 6.640216198375737e-10 -2.984917529438611e-10 ] [ -1.4209207775122752e-10 9.379755571808967e-10 2.803850742992141e-10 ] [ -6.930951974515969e-11 -1.4475999021665128e-09 1.3018659167385447e-09 ] [ 2.149171575248114e-09 4.745716044404294e-10 2.1804342067791358e-10 ] [ -3.173016269073773e-10 -1.2478629515578598e-09 -1.7608561933240322e-11 ] [ 7.248078803954016e-10 -1.3225080398856077e-09 4.029879551997063e-10 ] [ 9.870257137737025e-11 2.7850427916405697e-10 -1.2534418907691476e-09 ] [ -2.3595928008702336e-10 -9.354016604395814e-10 7.363733525503085e-10 ] [ -3.017988057068544e-10 -8.158143963747591e-10 -6.833795984230656e-11 ] [ -2.288991285898061e-10 3.580427353270522e-10 3.359429518903853e-10 ] [ 1.1020115265835871e-09 -2.792678765415302e-10 -3.77897388664992e-10 ] [ 7.211797514376e-11 1.5030595663308288e-10 3.6669737299728963e-10 ] [ -9.65195256226992e-10 -2.046115409339044e-09 -2.896384453726445e-10 ] [ -5.2493048298416945e-09 -6.855143385526195e-10 -1.8862897998781534e-09 ] [ -2.003289548700384e-10 9.743230166533517e-10 2.864962565839315e-10 ] [ 6.556984725101798e-10 6.83314229616937e-10 -8.487937601549684e-10 ] [ 9.326284529266389e-10 -8.450683790762842e-10 8.792386407387341e-10 ] [ -6.135953537451629e-10 7.4725517594112e-13 -4.83188590960078e-10 ] [ -1.278424791034944e-11 7.345286063891194e-10 3.0903183206145605e-10 ] [ 8.119254330630912e-10 5.792847414107309e-10 -4.0417741112298814e-10 ] [ 5.518910459836166e-10 -4.867366110868396e-10 7.162530583286401e-10 ] [ -2.82039161442528e-11 9.51650455074749e-10 -3.013107827081587e-10 ] [ 1.774162270159776e-10 -6.420496900952467e-10 4.184039384273818e-10 ] [ -7.186800354738279e-10 -2.2695216356020995e-10 -2.1849395274368257e-10 ] [ 1.4657016140636353e-09 7.362845919655161e-10 -1.4460893700484224e-10 ] [ 5.72948453310791e-10 -1.3897656520325088e-09 -7.251629227345709e-10 ] [ -1.3878830945030688e-09 -2.945856463423507e-10 -2.0467437830097216e-10 ] [ 1.3887234361406784e-10 2.5550263050754177e-10 -5.995612478529274e-10 ] [ -1.2256977993150644e-09 7.978721010514061e-10 2.614503907769376e-10 ] [ 2.6821205676969983e-10 -9.420205724954305e-10 -3.160165210398336e-11 ] [ 5.340796805337155e-09 5.971921092837505e-10 2.27576323506375e-09 ] [ 1.4093623549344997e-09 -9.223157226715353e-10 -3.2246031519102914e-10 ] [ -1.3110870840618972e-09 -1.5732060631426944e-10 3.343519905059309e-10 ] [ -6.634377866769542e-10 8.67758724815378e-10 -8.61914945808672e-11 ] [ -6.520727468173095e-10 -2.0295764605178497e-09 5.584316116027085e-10 ] [ 8.45019993342336e-12 -4.675955672158042e-10 -1.1819047046504277e-09 ] [ 5.433211634566195e-10 -8.120183593070977e-10 5.470696158786432e-10 ] [ -1.7974636860620427e-09 2.189289917615284e-09 2.2509828499228224e-10 ] [ 8.780040034347457e-11 7.771953708893337e-10 1.137649542248352e-10 ] [ -6.906246411023232e-10 4.199497184311296e-11 2.5336468602474627e-10 ] [ 6.401868393382426e-10 8.260513436756986e-10 1.6446407099576832e-10 ] ] "source-value" [ [ 0.4355012 -0.1832454 0.3569794 ] [ -0.7568268 -0.4659624 0.7125747 ] [ -0.0377686 1.8010009 -0.0175007 ] [ 0.2347498 -0.5668629 -0.4278426 ] [ -0.6952215 -0.349558 -0.9711915 ] [ 1.0195811 -0.8622902 -0.3096445 ] [ 0.169274 1.0582385 -0.8943169 ] [ -0.4071851 -0.019404 0.4116232 ] [ -0.6263577 -0.3919171 1.0051638 ] [ 0.0143134 0.3611252 -0.1781304 ] [ 0.7174304 0.2477358 0.3094558 ] [ -0.8564666 -0.3192936 0.7533093 ] [ 0.4090057 0.0608014 -0.2086786 ] [ -0.1148288 0.6185469 0.6922394 ] [ -0.3600441 0.6940814 0.1322168 ] [ -0.2302096 0.527754 -0.9604449 ] [ 0.2659593 -0.3053378 -0.4726954 ] [ -1.0249621 -0.2715577 0.344437 ] [ 0.8335821 0.168024 -0.3553492 ] [ 0.1970464 0.8752401 -0.5144822 ] [ -0.146664 0.2322621 0.6430376 ] [ -0.0778924 0.4494115 -0.4714316 ] [ 0.4757916 -0.7874911 -0.3543011 ] [ -0.0246989 0.4144497 -0.1863039 ] [ -0.0886869 0.5854383 0.1750026 ] [ -0.0432596 -0.9035208 0.8125608 ] [ 1.3414074 0.2962043 0.136092 ] [ -0.1980441 -0.7788548 -0.0109904 ] [ 0.4523895 -0.8254446 0.2515253 ] [ 0.0616053 0.1738287 -0.7823369 ] [ -0.1472742 -0.5838318 0.4596081 ] [ -0.188368 -0.5091913 -0.0426532 ] [ -0.1428676 0.2234727 0.2096791 ] [ 0.6878215 -0.1743053 -0.235865 ] [ 0.0450125 0.0938136 0.2288745 ] [ -0.6024275 -1.2770848 -0.1807781 ] [ -3.2763584 -0.4278644 -1.1773295 ] [ -0.1250355 0.6081246 0.1788169 ] [ 0.4092548 0.4264912 -0.5297754 ] [ 0.5821009 -0.5274502 0.5487776 ] [ -0.3829761 0.0004664 -0.3015826 ] [ -0.0079793 0.4584567 0.1928825 ] [ 0.506764 0.3615611 -0.2522677 ] [ 0.3444633 -0.3037971 0.44705 ] [ -0.0176035 0.5939735 -0.1880634 ] [ 0.1107345 -0.4007359 0.2611472 ] [ -0.4485648 -0.1416524 -0.1363732 ] [ 0.914819 0.4595527 -0.0902578 ] [ 0.3576063 -0.8674235 -0.4526111 ] [ -0.8662485 -0.1838659 -0.1277477 ] [ 0.0866773 0.1594722 -0.3742167 ] [ -0.7650204 0.4979926 0.1631845 ] [ 0.1674048 -0.587963 -0.0197242 ] [ 3.3334632 0.372738 1.4204197 ] [ 0.8796548 -0.5756642 -0.2012639 ] [ -0.8183162 -0.0981918 0.2086861 ] [ -0.4140853 0.5416124 -0.0537965 ] [ -0.4069918 -1.266762 0.3485456 ] [ 0.0052742 -0.2918502 -0.7376869 ] [ 0.3391144 -0.506822 0.341454 ] [ -1.1218886 1.3664473 0.1404953 ] [ 0.0548007 0.4850872 0.0710065 ] [ -0.431054 0.0262112 0.1581378 ] [ 0.3995732 0.5155807 0.1026504 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 1.8041072e-10 1.4525752000000001e-10 1.7389132000000002e-10 ] [ 3.7755692e-10 1.8618252e-10 4.301788e-11 ] [ 9.716442000000001e-11 3.3492292e-10 5.609447000000001e-11 ] [ 4.8887712e-10 3.0125812e-10 2.1375262e-10 ] [ 2.0887912000000002e-10 2.4729812e-10 3.949492199999999e-10 ] [ 3.8175632000000003e-10 8.93975e-11 4.0475422000000016e-10 ] [ 1.4260132000000002e-10 4.8197452e-10 3.8843002000000006e-10 ] [ 1.9708680000000003e-11 3.1542512e-10 5.271383200000001e-10 ] [ 3.8322832e-10 4.916841200000001e-10 3.1384452e-10 ] [ 5.0722570000000004e-11 6.030915000000001e-11 7.740278200000002e-10 ] [ 3.4619432e-10 2.1655272e-10 5.9610652e-10 ] [ 1.7706442e-10 3.4129932e-10 6.990520200000001e-10 ] [ 4.776700200000002e-10 4.079452200000001e-10 5.3646262e-10 ] [ 5.3060912e-10 4.3723092e-10 7.813006200000001e-10 ] [ 3.2271512e-10 5.2146662e-10 6.8869432e-10 ] [ 3.003482e-11 2.8906862e-10 8.902814200000001e-10 ] [ 4.111803200000001e-10 3.9278842e-10 9.8794332e-10 ] [ 2.8180662e-10 6.399420200000001e-10 1.5210082e-10 ] [ 5.0157792e-10 6.885407200000001e-10 9.178782000000001e-11 ] [ 1.4816102e-10 9.8530152e-10 2.4661042000000005e-10 ] [ 3.5835682000000004e-10 8.7216672e-10 1.7555872e-10 ] [ 4.6544602000000003e-10 1.03208372e-09 1.727738e-11 ] [ 2.3886272e-10 6.5818002e-10 5.1926462e-10 ] [ 1.0191762e-10 1.03174072e-09 4.732830200000001e-10 ] [ 4.6830752e-10 8.565600199999999e-10 3.9085102e-10 ] [ 1.3708222000000002e-10 8.4330822e-10 6.1212602e-10 ] [ 3.2247712000000005e-10 9.7333242e-10 5.359230200000001e-10 ] [ 2.5457862e-10 5.7137672e-10 9.9516072e-10 ] [ 2.455317e-11 5.407142200000001e-10 8.941558199999999e-10 ] [ 4.1192782e-10 7.367382200000001e-10 9.4782892e-10 ] [ 4.270172e-11 8.5484122e-10 9.5131332e-10 ] [ 2.4768632e-10 8.6236392e-10 8.262002199999999e-10 ] [ 1.7300662000000002e-10 1.05697672e-09 9.654505199999998e-10 ] [ 3.9984601999999997e-10 1.0426947200000002e-09 8.5769622e-10 ] [ 6.6273942e-10 1.3565192e-10 2.1015402000000001e-10 ] [ 1.0675867200000001e-09 1.2885102e-10 1.134848e-11 ] [ 7.1824082e-10 5.1748782e-10 2.6562912e-10 ] [ 5.870562200000001e-10 4.605875200000001e-10 7.083980000000001e-11 ] [ 9.1265392e-10 4.104731200000001e-10 1.9863282000000002e-10 ] [ 8.154285199999999e-10 4.328454e-11 4.825086200000001e-10 ] [ 8.538084200000001e-10 2.1092032e-10 3.2154162e-10 ] [ 7.142480200000002e-10 3.6073522e-10 4.4727572000000004e-10 ] [ 9.526752199999999e-10 1.5587131999999999e-10 6.4051242e-10 ] [ 6.541602200000001e-10 2.6696412000000003e-10 6.642310200000001e-10 ] [ 9.0601512e-10 4.6280642e-10 5.5034442e-10 ] [ 8.481541199999999e-10 1.1342382e-10 9.755987200000001e-10 ] [ 8.5773832e-10 2.8571062e-10 8.101469199999999e-10 ] [ 1.05234572e-09 7.600282200000001e-10 9.154392e-11 ] [ 9.497216199999999e-10 5.5870872e-10 1.445513e-11 ] [ 8.306685199999999e-10 7.6056862e-10 1.463730000000001e-12 ] [ 7.5811902e-10 8.8173412e-10 1.9196902000000001e-10 ] [ 6.9919222e-10 1.05001172e-09 3.8018740000000004e-11 ] [ 9.8117512e-10 9.591451200000001e-10 1.9956702e-10 ] [ 9.8841892e-10 5.6316932e-10 3.5438872e-10 ] [ 8.2840312e-10 7.692647200000001e-10 5.3391672e-10 ] [ 6.447367200000001e-10 1.0149357200000002e-09 3.5051112e-10 ] [ 9.606352200000001e-10 9.3675832e-10 4.311788200000002e-10 ] [ 5.799053200000001e-10 6.7370392e-10 7.918083200000001e-10 ] [ 5.900346200000001e-10 7.289022200000001e-10 5.5450152e-10 ] [ 9.7329292e-10 6.412662200000001e-10 6.9110072e-10 ] [ 5.6495372e-10 9.013031199999999e-10 7.2237802e-10 ] [ 7.957818200000002e-10 9.049572200000001e-10 7.205225200000001e-10 ] [ 8.0610062e-10 7.0626052e-10 8.425613199999999e-10 ] [ 9.464767199999999e-10 1.00003172e-09 8.6668892e-10 ] ] "source-value" [ [ 1.8041072 1.4525752 1.7389132 ] [ 3.7755692 1.8618252 0.4301788 ] [ 0.9716442000000001 3.3492292 0.5609447000000001 ] [ 4.8887712 3.0125812 2.1375262 ] [ 2.0887912 2.4729812 3.949492199999999 ] [ 3.8175632 0.893975 4.047542200000001 ] [ 1.4260132 4.8197452 3.8843002 ] [ 0.1970868 3.1542512 5.271383200000001 ] [ 3.8322832 4.9168412 3.1384452 ] [ 0.5072257 0.6030915000000001 7.740278200000001 ] [ 3.4619432 2.1655272 5.9610652 ] [ 1.7706442 3.4129932 6.990520200000001 ] [ 4.776700200000001 4.0794522 5.3646262 ] [ 5.3060912 4.3723092 7.8130062 ] [ 3.2271512 5.2146662 6.8869432 ] [ 0.3003482 2.8906862 8.9028142 ] [ 4.111803200000001 3.9278842 9.8794332 ] [ 2.8180662 6.399420200000001 1.5210082 ] [ 5.0157792 6.8854072 0.9178782000000001 ] [ 1.4816102 9.8530152 2.4661042 ] [ 3.5835682 8.721667199999999 1.7555872 ] [ 4.6544602 10.3208372 0.1727738 ] [ 2.3886272 6.5818002 5.1926462 ] [ 1.0191762 10.3174072 4.7328302 ] [ 4.6830752 8.565600199999999 3.9085102 ] [ 1.3708222 8.4330822 6.1212602 ] [ 3.2247712 9.7333242 5.359230200000001 ] [ 2.5457862 5.7137672 9.9516072 ] [ 0.2455317 5.4071422 8.9415582 ] [ 4.1192782 7.367382200000001 9.478289199999999 ] [ 0.4270172 8.5484122 9.513133199999999 ] [ 2.4768632 8.6236392 8.2620022 ] [ 1.7300662 10.5697672 9.6545052 ] [ 3.9984602 10.4269472 8.576962199999999 ] [ 6.6273942 1.3565192 2.1015402 ] [ 10.6758672 1.2885102 0.1134848 ] [ 7.1824082 5.1748782 2.6562912 ] [ 5.8705622 4.605875200000001 0.7083980000000001 ] [ 9.1265392 4.104731200000001 1.9863282 ] [ 8.154285199999999 0.4328454 4.8250862 ] [ 8.5380842 2.1092032 3.2154162 ] [ 7.142480200000001 3.6073522 4.4727572 ] [ 9.526752199999999 1.5587132 6.4051242 ] [ 6.541602200000001 2.6696412 6.642310200000001 ] [ 9.0601512 4.6280642 5.503444200000001 ] [ 8.481541199999999 1.1342382 9.7559872 ] [ 8.5773832 2.8571062 8.101469199999999 ] [ 10.5234572 7.600282200000001 0.9154392 ] [ 9.497216199999999 5.5870872 0.1445513 ] [ 8.306685199999999 7.6056862 0.01463730000000001 ] [ 7.5811902 8.8173412 1.9196902 ] [ 6.9919222 10.5001172 0.3801874 ] [ 9.8117512 9.5914512 1.9956702 ] [ 9.8841892 5.6316932 3.5438872 ] [ 8.2840312 7.692647200000001 5.3391672 ] [ 6.4473672 10.1493572 3.5051112 ] [ 9.6063522 9.367583199999999 4.311788200000001 ] [ 5.7990532 6.7370392 7.918083200000001 ] [ 5.9003462 7.289022200000001 5.5450152 ] [ 9.7329292 6.412662200000001 6.9110072 ] [ 5.6495372 9.013031199999999 7.2237802 ] [ 7.957818200000001 9.0495722 7.2052252 ] [ 8.0610062 7.0626052 8.425613199999999 ] [ 9.464767199999999 10.0003172 8.6668892 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -3.902673617665012e-17 "source-value" -243.58573 } }