{ "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" [ 10.6893572 0 0 ] "si-unit" "m" "si-value" [ 1.06893572e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6893572 0 ] "si-unit" "m" "si-value" [ 0.0 1.06893572e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6893572 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06893572e-09 ] } "unrelaxed-configuration-positions" { "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 ] ] "source-unit" "angstrom" "si-unit" "m" "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 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9694898 -0.7026329 1.1475567 ] [ -0.6294466 -0.5992737 0.3161005 ] [ -0.3633608 2.3181594 -1.2620314 ] [ 0.5031704 -0.5037192 0.3791889 ] [ -1.0328385 0.1046042 -2.3481496 ] [ 1.4044804 -1.452851 -0.6960566 ] [ -0.0647606 1.9956937 -0.2690807 ] [ -0.9061095 -0.4099404 0.8524317 ] [ -0.5343473 -0.391294 -0.3930004 ] [ 0.5001454 -0.1315265 -0.3273479 ] [ 1.1455635 0.6695047 1.201245 ] [ -1.6055722 -0.5259252 1.9554951 ] [ 0.1790147 -0.0010771 0.3787585 ] [ -0.1488199 -0.5119711 0.5263948 ] [ 0.3929062 0.2738361 -0.5170749 ] [ 1.401083 0.843331 -0.0917801 ] [ 0.4447217 -0.4609806 -0.598593 ] [ -1.6359235 -1.0770923 1.2740943 ] [ 2.0420783 0.0242853 -0.7930642 ] [ 0.7597913 1.0647566 -0.9720638 ] [ -0.4082263 1.2348628 0.650363 ] [ -0.4110932 0.5825328 -0.625471 ] [ -0.1386195 -1.0324905 -0.1719815 ] [ -0.9884394 0.4573007 -0.2941369 ] [ 0.2266176 0.7282493 0.5766553 ] [ 0.5218104 -1.2156969 1.4060303 ] [ 2.0310737 -0.1212575 -0.3062855 ] [ -0.3350436 -1.0608711 0.4666285 ] [ -0.3412153 -0.4282101 0.3195762 ] [ 0.2561941 -0.0639905 -1.7271559 ] [ 0.4033169 0.0651423 1.0231659 ] [ -0.2027816 0.2418854 0.0990073 ] [ 0.2393204 0.3465695 0.0037395 ] [ -0.4402122 -0.6219034 0.306146 ] [ -0.705339 0.5992853 0.522015 ] [ -1.9496073 -1.4994631 -0.508789 ] [ -1.2877491 -0.203985 -0.2005897 ] [ 0.0164484 1.4976929 0.3605123 ] [ 0.8195743 0.1309816 -1.1913766 ] [ 0.807172 -0.2597522 0.9420694 ] [ -0.2074161 0.4873683 -0.7846341 ] [ 0.3341517 0.075221 1.4324753 ] [ 0.0798777 0.8810082 -0.4885942 ] [ -0.6926812 1.3445192 -0.3597006 ] [ 0.1765817 0.404244 -0.1183132 ] [ 0.7443554 -0.1911006 0.7316863 ] [ -0.7668753 -0.5975748 0.3591232 ] [ 1.642972 0.825782 -0.3379411 ] [ 0.9657002 -2.4100028 -0.2324851 ] [ -1.6175567 -0.246672 -0.5507137 ] [ -0.1198091 0.0227748 -0.7188151 ] [ -0.8056537 1.0302187 -0.5409297 ] [ 0.8907297 -0.9142351 0.2023917 ] [ 1.0473732 -0.0178787 0.1068268 ] [ 1.3870433 -0.4404551 -0.4650356 ] [ -0.8169385 -0.6656164 0.4408152 ] [ -0.8610411 0.2340475 0.2098527 ] [ -0.3224715 -2.0129917 1.0194886 ] [ 0.0743533 -0.2320818 -2.0489548 ] [ -0.8736516 -0.4220054 -0.4814512 ] [ -1.0949722 1.9692387 0.1404143 ] [ 0.4084489 1.157732 0.5811927 ] [ -0.1901757 -0.0067025 1.2154918 ] [ -0.3168114 -0.1776066 -0.725336 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.5532939044613332e-09 -1.1257420146596587e-09 1.8385885309301479e-09 ] [ -1.0084846348707444e-09 -9.60142319510726e-10 5.06448835095717e-10 ] [ -5.821681834715472e-10 3.7141008245674595e-09 -2.0219972204543073e-09 ] [ 8.061678578004336e-10 -8.070471323371728e-10 6.075275954521626e-10 ] [ -1.654789711395609e-09 1.675944050582628e-10 -3.762150422256447e-09 ] [ 2.2502256797909737e-09 -2.3277239248835337e-09 -1.1152056204614845e-09 ] [ -1.0375792012382041e-10 3.1974538147610057e-09 -4.311148102003638e-10 ] [ -1.451747468745423e-09 -6.567969302126136e-10 1.3657461518208979e-09 ] [ -8.561187585009881e-10 -6.269221038243959e-10 -6.296560580326537e-10 ] [ 8.013212734825836e-10 -2.1072868505180099e-10 -5.244691565689687e-10 ] [ 1.835395072463259e-09 1.0726647866931798e-09 1.92460667070933e-09 ] [ -2.5724102630399745e-09 -8.426250666717767e-10 3.1330485571214936e-09 ] [ 2.868131694825198e-10 -1.7257044524814002e-12 6.06838018628889e-10 ] [ -2.384357664542166e-10 -8.202681337032774e-10 8.433774488191033e-10 ] [ 6.295051329937308e-10 4.387338009656874e-10 -8.284453228078866e-10 ] [ 2.244782444894622e-09 1.3511652229278542e-09 -1.470479316861834e-10 ] [ 7.125227163727578e-10 -7.385723460473005e-10 -9.59051717875962e-10 ] [ -2.6210384067114992e-09 -1.7256921157213181e-09 2.0413241169725863e-09 ] [ 3.2717701370584423e-09 3.8909340209680196e-11 -1.2706289305019028e-09 ] [ 1.2173198675764842e-09 1.7059281454172843e-09 -1.5574179071172493e-09 ] [ -6.540506392442741e-10 1.9784683243558153e-09 1.0419964022181421e-09 ] [ -6.586439194362888e-10 9.333204406985951e-10 -1.002115021444614e-09 ] [ -2.22092923916763e-10 -1.654232153926977e-09 -2.7554474078027103e-10 ] [ -1.5836545108049795e-09 7.326764962518438e-10 -4.712592683771946e-10 ] [ 3.630814235731584e-10 1.1667840121868561e-09 9.239036475322602e-10 ] [ 8.360324302581936e-10 -1.9477611672062346e-09 2.2527088933560103e-09 ] [ 3.2541388240719254e-09 -1.9427593319725502e-10 -4.90723471433007e-10 ] [ -5.367990272912424e-10 -1.6997028881058773e-09 7.47621279458469e-10 ] [ -5.466871808233002e-10 -6.860682166628033e-10 5.120175204225108e-10 ] [ 4.1046820078865935e-10 -1.0252408389797701e-10 -2.767208826255241e-09 ] [ 6.461849132773146e-10 1.043694709450182e-10 1.6392924976855805e-09 ] [ -3.248919413251344e-10 3.875431359857436e-10 1.586271826554282e-10 ] [ 3.834335529195336e-10 5.55265554957063e-10 5.991339522843e-12 ] [ -7.052977008417348e-10 -9.963990960851555e-10 4.90499967792564e-10 ] [ -1.1300776648489261e-09 9.601609047596802e-10 8.3636023559751e-10 ] [ -3.1236152615358283e-09 -2.4024047423652054e-09 -8.151698474362261e-10 ] [ -2.0632015184745295e-09 -3.2682000068649e-10 -3.213801303610698e-10 ] [ 2.6353242146685598e-11 2.399568569287699e-09 5.776043833295982e-10 ] [ 1.3131027932869061e-09 2.098556590039344e-10 -1.9087957508143644e-09 ] [ 1.293232118019048e-09 -4.1616890547009476e-10 1.5093615802863996e-09 ] [ -3.323172289354074e-10 7.808501024123021e-10 -1.2571224212596194e-09 ] [ 5.353700459513778e-10 1.20517328586114e-10 2.29507845444214e-09 ] [ 1.279781845176618e-10 1.4115307524023989e-09 -7.828142107479228e-10 ] [ -1.1097976334510809e-09 2.154157246204373e-09 -5.763038965557804e-10 ] [ 2.829150737319978e-10 6.476702912346959e-10 -1.895586445337688e-10 ] [ 1.1925888292717236e-09 -3.061769160633804e-10 1.1722906932779142e-09 ] [ -1.2286696868517402e-09 -9.574203816272231e-10 5.753787997673088e-10 ] [ 2.632331348716248e-09 1.323048625177788e-09 -5.414413340882574e-10 ] [ 1.5472222958891269e-09 -3.861250174034575e-09 -3.724821949731534e-10 ] [ -2.5916115489101478e-09 -3.95212114662048e-10 -8.823406221636857e-10 ] [ -1.919553405605694e-10 3.64892524040232e-11 -1.1516687573863734e-09 ] [ -1.290799533235646e-09 1.650592329049856e-09 -8.666649259766297e-10 ] [ 1.4271063125498297e-09 -1.4647661152026533e-09 3.242672526555378e-10 ] [ 1.6780768681178088e-09 -2.8644835386295802e-11 1.711554028449912e-10 ] [ 2.222288365606252e-09 -7.056868695461334e-10 -7.450691722981704e-10 ] [ -1.308879776115009e-09 -1.0664350432871977e-09 7.062638133520368e-10 ] [ -1.3795399313336574e-09 3.74985435746115e-10 3.362210925218118e-10 ] [ -5.16656302430931e-10 -3.225168266175938e-09 1.6334008135493725e-09 ] [ 1.191271199207922e-10 -3.718360371366612e-10 -3.2827875046821434e-09 ] [ -1.3997441797767144e-09 -6.761271913018236e-10 -7.713698630512608e-10 ] [ -1.7543388737195747e-09 3.1550682319085358e-09 2.2496851053946619e-10 ] [ 6.544072837630026e-10 1.8548911588340879e-09 9.311733637913718e-10 ] [ -3.046950628945938e-10 -1.0738588889385e-11 1.947432560778601e-09 ] [ -5.075878224648276e-10 -2.845571445641844e-10 -1.162116390999024e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -217.29792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.481496500408013e-17 } }