{ "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" [ [ 1.0075076 -0.4545324 1.4794992 ] [ -0.6310457 -0.5979761 0.3178627 ] [ 0.3272106 2.9373812 0.1899037 ] [ 0.5418241 -0.6312328 -0.2380144 ] [ -1.2804935 -0.216684 -2.2946317 ] [ 1.3955865 -1.4305983 -0.6640596 ] [ 0.5720578 1.6694783 -0.5819437 ] [ -0.8952336 -0.4603116 0.9244312 ] [ -0.7030159 -0.9796746 0.9824534 ] [ 0.0865396 0.6576969 -0.3453564 ] [ 0.5907018 0.4214977 1.3265248 ] [ -0.862478 -0.3582055 1.4136715 ] [ 0.2966716 0.1798783 -1.7506592 ] [ -0.2112152 0.7479667 1.6549746 ] [ -0.7556428 0.7367012 -0.0592956 ] [ 0.1712732 1.3858472 -1.6303519 ] [ 0.448184 -0.4274238 -0.5859571 ] [ -1.4125408 -0.7226692 0.6749689 ] [ 2.0525925 -0.0111007 -0.8154902 ] [ 0.7666896 1.0637174 -0.9690627 ] [ -0.4301302 1.2653251 0.6649344 ] [ -0.178089 0.4664535 -0.1804348 ] [ -0.3415795 -0.6013755 0.3045306 ] [ -0.9887259 0.4564238 -0.2956516 ] [ 0.2250307 0.7293101 0.5747039 ] [ 0.471387 -1.2912419 1.4023937 ] [ 2.0414958 -0.1149211 -0.3110571 ] [ -1.5634003 -1.0801347 -0.2772557 ] [ 0.5621407 -0.5327989 0.0237193 ] [ 0.3168382 -0.0729369 -1.7413037 ] [ -0.8390604 -0.7564938 1.1243855 ] [ -0.4064746 -1.311531 -0.4242518 ] [ -0.0693953 1.1642809 0.6548994 ] [ 1.7386112 -0.2577711 -0.5345957 ] [ -0.7029123 0.6017173 0.5232979 ] [ -1.1042082 -2.2203382 -0.6923917 ] [ -1.3221722 -0.1025264 -0.2873882 ] [ 0.0422914 1.4900119 0.3538658 ] [ 0.9256844 -0.0814351 -1.2648027 ] [ 0.8076814 -0.2589069 0.9410282 ] [ -0.2323856 0.4303987 -0.8038479 ] [ 0.0437731 0.9379653 0.4935691 ] [ 0.1316292 0.0963826 -1.1904366 ] [ 1.2555903 -0.1714844 1.0442314 ] [ 0.1601215 0.4253522 -0.2036829 ] [ 0.0796641 -0.7979076 0.9481571 ] [ -1.1635296 -0.4198484 0.1454561 ] [ 1.645239 0.8287565 -0.3368752 ] [ 0.6358447 -2.1826677 0.0984311 ] [ -1.6185006 -0.2481845 -0.5512308 ] [ -0.1188101 0.022412 -0.7199405 ] [ -0.8056823 1.0306049 -0.5427078 ] [ 0.8837412 -0.9167562 0.2048586 ] [ 1.1531772 0.2833153 0.1917602 ] [ 1.2682295 -0.3759514 -0.4761173 ] [ -0.8178676 -0.6665253 0.4417092 ] [ -0.8619917 0.230744 0.2074772 ] [ -0.2734621 -1.967055 1.0850354 ] [ 0.0070247 -0.2688293 -2.0854841 ] [ 0.2220559 -1.2016708 0.7224768 ] [ -1.7571264 2.84816 0.8627209 ] [ 0.3886391 1.1779748 0.6031043 ] [ -0.5853188 0.2152969 1.0610979 ] [ -0.3302409 -0.3113493 -0.7878554 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.6142051219983182e-09 -7.28241184676114e-10 2.3704190287323033e-09 ] [ -1.0110466671963706e-09 -9.580633272171628e-10 5.092721865643641e-10 ] [ 5.242491733979405e-10 4.706203485017449e-09 3.0425926834341696e-10 ] [ 8.680979056060013e-10 -1.0113464344421223e-09 -3.813411070937395e-10 ] [ -2.0515767487863646e-09 -3.471660389014272e-10 -3.6764052630865596e-09 ] [ 2.235976062604099e-09 -2.2920711500162246e-09 -1.0639407659377996e-09 ] [ 9.165376329062822e-10 2.674799101192929e-09 -9.32376590761849e-10 ] [ -1.4343223440746189e-09 -7.375004838030413e-10 1.481102056178089e-09 ] [ -1.1263556390306707e-09 -1.5696117401115916e-09 1.5740638685054709e-09 ] [ 1.3865172389338368e-10 1.0537465967526357e-09 -5.533219499236532e-10 ] [ 9.464086138244775e-10 6.753137606609721e-10 2.125327021471396e-09 ] [ -1.3818420875543424e-09 -5.739084775419745e-10 2.2649514267912672e-09 ] [ 4.753203015753292e-10 2.8819680684924863e-10 -2.8048652412284314e-09 ] [ -3.3840405539759616e-10 1.1983747598769273e-09 2.651561612137832e-09 ] [ -1.2106732278358503e-09 1.1803254391553048e-09 -9.500202403630847e-11 ] [ 2.744099168096025e-10 2.2203719838411418e-09 -2.6121116978568595e-09 ] [ 7.180699266166273e-10 -6.848084195334951e-10 -9.388067664117677e-10 ] [ -2.2631398456861287e-09 -1.1578436968122394e-09 1.0814193913470931e-09 ] [ 3.288615715529424e-09 -1.7785282014514562e-11 -1.3065593329315163e-09 ] [ 1.2283721525305037e-09 1.704263149418162e-09 -1.5526096020293242e-09 ] [ -6.891445503400282e-10 2.0272742929314223e-09 1.0653423500456756e-09 ] [ -2.853300322216512e-10 7.473408923903328e-10 -2.8908841813872386e-10 ] [ -5.472706890445535e-10 -9.635097664219104e-10 4.879118076381965e-10 ] [ -1.5841135213594389e-09 7.31271541536695e-10 -4.736860814221134e-10 ] [ 3.605389265022586e-10 1.1684835915333101e-09 9.207771524625812e-10 ] [ 7.552452307490496e-10 -2.0687975839773715e-09 2.246882399297209e-09 ] [ 3.2708368422213925e-09 -1.8412389965661888e-10 -4.983684133538477e-10 ] [ -2.5048434096117064e-09 -1.7305665636548216e-09 -4.4421260052353854e-10 ] [ 9.006486871401466e-10 -8.536379411679571e-10 3.800250792174144e-11 ] [ 5.076307566163546e-10 -1.1685779597362754e-10 -2.789876077852537e-09 ] [ -1.3443229563190964e-09 -1.212036680140151e-09 1.8014641608665185e-09 ] [ -6.512441010690318e-10 -2.101304305654445e-09 -6.797263152923175e-10 ] [ -1.1118352725340223e-10 1.865383638023983e-09 1.0492645076559476e-09 ] [ 2.785562217301033e-09 -4.1299482993789884e-10 -8.565167321202106e-10 ] [ -1.126189653532756e-09 9.640573903909e-10 8.384156610937363e-10 ] [ -1.7691365625356505e-09 -3.557373954309155e-09 -1.1093337941759674e-09 ] [ -2.118353387511702e-09 -1.6426540109478913e-10 -4.6044665513379454e-10 ] [ 6.775829234090113e-11 2.3872622308937878e-09 5.669555116606887e-10 ] [ 1.4831099039192755e-09 -1.3047341333251008e-10 -2.026437315864716e-09 ] [ 1.294048256135013e-09 -4.1481458214380355e-10 1.5076933815535066e-09 ] [ -3.723227753305805e-10 6.89574734762713e-10 -1.2879063120591762e-09 ] [ 7.013223743994048e-11 1.5027860747816584e-09 7.907848727692973e-10 ] [ 2.1089322685460736e-10 1.544219483719181e-10 -1.907289689064641e-09 ] [ 2.0116774239632584e-09 -2.7474829651191557e-10 1.6730431357852532e-09 ] [ 2.5654292378742723e-10 6.814893504458458e-10 -3.2633598043674435e-10 ] [ 1.276359585370733e-10 -1.2783889022786382e-09 1.5191151384655277e-09 ] [ -1.8641799227287755e-09 -6.726712907602868e-10 2.330463627727469e-10 ] [ 2.635963461428371e-09 1.3278142886360353e-09 -5.397335695673242e-10 ] [ 1.0187355127995899e-09 -3.4970191599153083e-09 1.5770400717962687e-10 ] [ -2.5931238220707725e-09 -3.9763540354493764e-10 -8.831691004248807e-10 ] [ -1.903547645349101e-10 3.5907982425369604e-11 -1.1534718374670624e-09 ] [ -1.2908453448523718e-09 1.651211076061922e-09 -8.695137490858022e-10 ] [ 1.4159094894777371e-09 -1.4688053506134491e-09 3.282196594898189e-10 ] [ 1.847593549479606e-09 4.5392114997493826e-10 3.0723370923993214e-10 ] [ 2.0319276547088734e-09 -6.023405436370291e-10 -7.628240068184199e-10 ] [ -1.3103683476298062e-09 -1.0678912528317063e-09 7.076961534322714e-10 ] [ -1.3810629490636474e-09 3.6969264218987523e-10 3.324151191890458e-10 ] [ -4.3813458329487167e-10 -3.151569532827744e-09 1.7384183506203763e-09 ] [ 1.125481010813376e-11 -4.3071201944602945e-10 -3.3413138680701293e-09 ] [ 3.5577277149070275e-10 -1.9252888616580326e-09 1.1575354380303976e-09 ] [ -2.815226837870469e-09 4.563255364297728e-09 1.3822312562555349e-09 ] [ 6.226684799487533e-10 1.887323684451556e-09 9.662796093639496e-10 ] [ -9.37784097074711e-10 3.4494365971071557e-10 1.7000662477599764e-09 ] [ -5.291042492119508e-10 -4.988365693624454e-10 -1.2622835024510323e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -232.61496 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.726902505603272e-17 } }