{ "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" [ 10.7282491 0 0 ] "si-unit" "m" "si-value" [ 1.07282491e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7282491 0 ] "si-unit" "m" "si-value" [ 0.0 1.07282491e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7282491 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07282491e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.7930703234 0.1686733 2.7041611 ] [ 0.062015617674 1.7293121 2.9120831 ] [ 3.15149935509 0.6655922999999999 0.8093229 ] [ 5.13946942883 0.5091319999999999 2.1670881 ] [ 2.32664575767 3.7923191 0.5969833999999999 ] [ 0.6404102576059999 3.8783621 2.2391271 ] [ 0.01575878028579999 2.3990981 5.1570031 ] [ 4.278318201449999 2.3807931 4.6840861 ] [ 3.14089120805 0.291218 4.6316431 ] [ 1.52489402377 4.2990261 5.283188099999999 ] [ 3.14127408037 4.108993099999999 3.6174841 ] [ 1.56479039378 0.9690621 6.2244461 ] [ 2.89815503249 2.8573111 6.5237371 ] [ 1.73178674878 1.8435741 10.0309791 ] [ 1.43159493088 0.0451285 8.4327551 ] [ 3.56994232879 2.4042611 8.7519061 ] [ 4.675644719229999 0.5071397 9.6515451 ] [ 1.1315686639 5.1535401 8.4762291 ] [ 4.32990539058 4.2239551 10.0187591 ] [ 2.20926679804 6.153385099999999 0.6869067 ] [ 1.3329744799 7.0460691 2.7164791 ] [ 0.889317485566 9.0299461 1.5638571 ] [ 2.86421886218 9.0634421 0.3238159 ] [ 5.166948115129999 8.8919611 2.5390521 ] [ 2.93336883908 7.5713621 4.3796211 ] [ 4.58425705063 5.934913099999999 3.8628351 ] [ 4.61659882653 9.1899661 4.8228041 ] [ 2.46877540134 6.2472961 6.1941731 ] [ 0.5300892222339999 7.016248099999999 7.187582099999999 ] [ 5.032328283729999 6.8528961 7.9556741 ] [ 4.887359152189999 10.5635191 7.386767099999999 ] [ 0.133507976637 5.992190099999999 10.3836791 ] [ 3.15530684418 6.090483099999999 9.2677291 ] [ 3.33103829909 9.439409099999999 8.7647621 ] [ 6.87608018082 2.0902991 1.7470171 ] [ 8.63807661257 0.781724 2.4974131 ] [ 7.33750333467 4.8701731 0.1330419 ] [ 5.98609535782 5.1211151 2.1011711 ] [ 9.56385019917 4.4022421 0.8088065999999999 ] [ 7.58230599971 3.8002981 3.2453311 ] [ 7.526610747109999 2.1589581 6.8593011 ] [ 9.13614385221 0.8396597 5.7748291 ] [ 6.34738440426 3.4416441 5.201548099999999 ] [ 7.07782366106 2.6062631 10.1920791 ] [ 8.34256940659 0.6201247999999999 9.8058321 ] [ 5.733131569939999 4.6322841 8.0796151 ] [ 9.09740070196 3.6287021 7.773206099999999 ] [ 9.439431567469999 2.7173551 9.8726631 ] [ 5.896285733739999 9.8201951 0.4494065 ] [ 8.18413888976 9.8482831 0.9437261 ] [ 7.912240069929999 6.185701099999999 2.9555161 ] [ 10.0438628693 6.499791099999999 3.8846661 ] [ 7.498521205059999 8.548143099999999 2.8788021 ] [ 7.64737414622 10.4637791 4.338051099999999 ] [ 9.20041417757 8.6378071 4.5572301 ] [ 5.89980947836 5.7317201 5.9121551 ] [ 7.792768061609999 7.346323099999999 5.968139099999999 ] [ 9.5831005791 5.848642099999999 6.0619951 ] [ 7.20395577125 10.6992291 7.8345311 ] [ 8.1756102327 8.5326311 7.963113099999999 ] [ 6.78838525403 7.342866099999999 9.4495741 ] [ 7.82443182932 5.4151871 8.6557771 ] [ 10.5076203041 8.9841521 8.3265201 ] [ 10.314749043 8.2418701 10.5086491 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7930703234000002e-10 1.686733e-11 2.7041610999999997e-10 ] [ 6.2015617674e-12 1.7293121e-10 2.9120831e-10 ] [ 3.15149935509e-10 6.655923e-11 8.093229e-11 ] [ 5.13946942883e-10 5.0913199999999994e-11 2.1670881e-10 ] [ 2.3266457576700003e-10 3.7923191e-10 5.969834e-11 ] [ 6.404102576059999e-11 3.8783621e-10 2.2391271000000003e-10 ] [ 1.5758780285799991e-12 2.3990981e-10 5.1570031e-10 ] [ 4.2783182014499995e-10 2.3807931e-10 4.684086100000001e-10 ] [ 3.1408912080500003e-10 2.91218e-11 4.6316431e-10 ] [ 1.52489402377e-10 4.2990261e-10 5.2831881e-10 ] [ 3.1412740803700003e-10 4.108993099999999e-10 3.6174841e-10 ] [ 1.5647903937800001e-10 9.690621e-11 6.2244461e-10 ] [ 2.89815503249e-10 2.8573111e-10 6.5237371e-10 ] [ 1.7317867487800002e-10 1.8435741000000001e-10 1.00309791e-09 ] [ 1.43159493088e-10 4.5128500000000005e-12 8.4327551e-10 ] [ 3.56994232879e-10 2.4042611e-10 8.7519061e-10 ] [ 4.67564471923e-10 5.0713969999999996e-11 9.6515451e-10 ] [ 1.1315686639000001e-10 5.1535401e-10 8.4762291e-10 ] [ 4.32990539058e-10 4.2239551000000007e-10 1.00187591e-09 ] [ 2.20926679804e-10 6.153385099999998e-10 6.869067e-11 ] [ 1.3329744799e-10 7.046069100000001e-10 2.7164791e-10 ] [ 8.89317485566e-11 9.029946100000001e-10 1.5638571e-10 ] [ 2.8642188621800003e-10 9.0634421e-10 3.238159e-11 ] [ 5.166948115129999e-10 8.8919611e-10 2.5390521e-10 ] [ 2.93336883908e-10 7.5713621e-10 4.3796211e-10 ] [ 4.5842570506299997e-10 5.934913099999999e-10 3.8628351e-10 ] [ 4.61659882653e-10 9.1899661e-10 4.8228041e-10 ] [ 2.46877540134e-10 6.2472961e-10 6.1941731e-10 ] [ 5.3008922223399994e-11 7.016248099999999e-10 7.1875821e-10 ] [ 5.03232828373e-10 6.8528961e-10 7.955674100000001e-10 ] [ 4.887359152189999e-10 1.05635191e-09 7.3867671e-10 ] [ 1.33507976637e-11 5.9921901e-10 1.03836791e-09 ] [ 3.15530684418e-10 6.0904831e-10 9.2677291e-10 ] [ 3.33103829909e-10 9.439409099999999e-10 8.7647621e-10 ] [ 6.87608018082e-10 2.0902991000000001e-10 1.7470171000000002e-10 ] [ 8.638076612570001e-10 7.81724e-11 2.4974131e-10 ] [ 7.33750333467e-10 4.8701731e-10 1.3304189999999999e-11 ] [ 5.986095357820001e-10 5.1211151e-10 2.1011711000000002e-10 ] [ 9.56385019917e-10 4.4022421e-10 8.088066e-11 ] [ 7.58230599971e-10 3.8002981e-10 3.2453311e-10 ] [ 7.526610747109998e-10 2.1589581e-10 6.8593011e-10 ] [ 9.136143852209999e-10 8.396597000000001e-11 5.7748291e-10 ] [ 6.34738440426e-10 3.4416441000000003e-10 5.201548099999999e-10 ] [ 7.07782366106e-10 2.6062631e-10 1.01920791e-09 ] [ 8.34256940659e-10 6.201248e-11 9.8058321e-10 ] [ 5.73313156994e-10 4.6322840999999996e-10 8.0796151e-10 ] [ 9.09740070196e-10 3.6287021e-10 7.773206099999999e-10 ] [ 9.43943156747e-10 2.7173551e-10 9.872663100000002e-10 ] [ 5.896285733739999e-10 9.8201951e-10 4.494065e-11 ] [ 8.184138889760001e-10 9.8482831e-10 9.437261e-11 ] [ 7.912240069929999e-10 6.185701099999999e-10 2.9555161e-10 ] [ 1.0043862869300001e-09 6.499791099999999e-10 3.8846661e-10 ] [ 7.49852120506e-10 8.548143099999999e-10 2.8788021000000005e-10 ] [ 7.64737414622e-10 1.04637791e-09 4.3380510999999985e-10 ] [ 9.200414177570001e-10 8.6378071e-10 4.5572301e-10 ] [ 5.89980947836e-10 5.731720100000001e-10 5.9121551e-10 ] [ 7.792768061609999e-10 7.346323099999999e-10 5.9681391e-10 ] [ 9.5831005791e-10 5.848642099999999e-10 6.0619951e-10 ] [ 7.203955771250001e-10 1.06992291e-09 7.834531100000001e-10 ] [ 8.175610232700001e-10 8.5326311e-10 7.9631131e-10 ] [ 6.78838525403e-10 7.342866099999999e-10 9.4495741e-10 ] [ 7.82443182932e-10 5.4151871e-10 8.655777100000001e-10 ] [ 1.05076203041e-09 8.984152099999999e-10 8.3265201e-10 ] [ 1.0314749043e-09 8.2418701e-10 1.05086491e-09 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5373572 0.6783542 1.2213699 ] [ 1.0677352 -0.1909504 -1.4045091 ] [ -1.0356414 1.1134011 5.373006 ] [ -0.7338244 2.571068 0.3825576 ] [ 1.1521346 -1.7496507 4.9247048 ] [ 0.3987608 -2.7977874 0.3273725 ] [ -1.2159384 -0.8383303 0.3128747 ] [ 3.5190713 0.0641618 -0.92022 ] [ -0.6295898 0.413091 -1.1417281 ] [ 0.1713469 0.2350069 -1.7546073 ] [ -1.0273224 -2.7716539 -2.4282165 ] [ -1.9177724 -3.6415395 1.0390868 ] [ 1.7306945 -1.8003483 1.5230053 ] [ -4.2604758 -0.3093107 0.1036738 ] [ -3.5327197 -0.4627253 -2.4671141 ] [ 1.4079774 1.676116 -2.9666277 ] [ 3.3299046 0.7457468 -2.587705 ] [ -0.686715 0.0052494 -0.2788949 ] [ -0.1166711 -1.7344328 -0.0752993 ] [ 2.4895649 0.7784687 2.8374814 ] [ -0.3996625 1.1338689 3.4047766 ] [ -2.4664999 0.0306927 1.4012516 ] [ 1.7288469 -0.8753642 0.6703169 ] [ -1.4444532 -1.0184108 -0.9973559 ] [ -1.1860953 -0.5026014 0.0357325 ] [ -1.9356529 -1.6138654 -0.2514184 ] [ -1.313996 1.3579246 3.5737508 ] [ -2.0991414 2.8486317 2.2643004 ] [ -1.0511537 2.692426 -0.807911 ] [ -3.528892 2.7180206 -0.9186243 ] [ 0.2920535 -1.3452927 -1.096421 ] [ -3.7484262 1.9646678 -1.1328533 ] [ 2.5695335 -0.3728415 -0.9635629 ] [ -1.4715868 -0.0631907 -3.3022706 ] [ -1.4378199 2.189083 3.2174415 ] [ 2.597671 1.3873866 0.0100679 ] [ 1.1517316 4.2960452 -1.6834778 ] [ 0.6244731 1.5536621 -0.6992845 ] [ 2.0998597 0.9462321 1.4826173 ] [ 0.2983968 -0.4475071 4.1677871 ] [ 0.7904139 1.3694113 -3.0993899 ] [ -1.4202482 -2.0968066 2.6727263 ] [ 0.8430265 -2.1304727 1.0107494 ] [ -1.9339155 -4.1263972 4.7667378 ] [ 1.5823704 0.424289 -0.6052212 ] [ -2.3666042 0.1180826 -3.8686471 ] [ 2.2426683 1.8121762 -0.8314641 ] [ 3.5357157 -2.9429285 0.6947439 ] [ 1.4427875 -3.1730105 -2.4755301 ] [ 4.5466632 -2.7538297 -3.6144226 ] [ 1.1440844 -0.3543258 -2.4551051 ] [ 1.4291192 -0.8514245 -1.7580191 ] [ -1.2432126 -0.396168 -2.1965394 ] [ 1.6581491 1.1009069 1.196269 ] [ 2.2986144 2.4409091 0.2569952 ] [ 0.2419775 0.3846745 -2.8056403 ] [ 0.1599192 0.3777837 1.7116701 ] [ -0.0896169 -2.190627 0.5095401 ] [ 1.126047 -0.9286673 -0.5291516 ] [ -1.1974755 1.2350002 -1.1189168 ] [ 0.0648503 1.8449165 1.4398699 ] [ 1.1318752 0.9298455 0.3283065 ] [ 0.4328503 -0.7347124 -0.3134016 ] [ -3.2724082 1.7778728 0.6887671 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.06529438445855e-09 1.0868432398614875e-09 1.956850299128834e-09 ] [ 1.7107003746452121e-09 -3.059362666124083e-10 -2.2502716437208497e-09 ] [ -1.6592804386125813e-09 1.7838652119930029e-09 8.608504596618125e-09 ] [ -1.1757162974525877e-09 4.119305040087015e-09 6.129248428293581e-10 ] [ 1.8459231201347595e-09 -2.8032494461063546e-09 7.890246894901539e-09 ] [ 6.388852310515047e-10 -4.4825495622488176e-09 5.245085657928481e-10 ] [ -1.9481480768129586e-09 -1.3431532071682502e-09 5.012805295798138e-10 ] [ 5.638173763788263e-09 1.0279853590844546e-10 -1.474354969992576e-09 ] [ -1.0087140582541479e-09 6.618447424628928e-10 -1.8292500691304044e-09 ] [ 2.7452799722655555e-10 3.765225609066835e-10 -2.811190794745012e-09 ] [ -1.6459519313041462e-09 -4.440679079529141e-09 -3.890431706540803e-09 ] [ -3.072610103295506e-09 -5.834389450619722e-09 1.6648005779418855e-09 ] [ 2.7728782656471457e-09 -2.884475955557025e-09 2.4401234850144903e-09 ] [ -6.826034720244177e-09 -4.955703721032826e-10 1.6610373854949505e-10 ] [ -5.66004091117959e-09 -7.413676575126663e-10 -3.952752531866033e-09 ] [ 2.25582847289477e-09 2.6854338689488126e-09 -4.753061543557677e-09 ] [ 5.335095299614376e-09 1.1948180879964137e-09 -4.145960452527264e-09 ] [ -1.100238718152672e-09 8.41046595322752e-12 -4.4683888844035395e-10 ] [ -1.8692770874301888e-10 -2.7788676825086824e-09 -1.2064277802260545e-10 ] [ 3.98872267874429e-09 1.247244351164569e-09 4.546146361034853e-09 ] [ -6.4032991371048e-10 1.816658242632213e-09 5.455053467566914e-09 ] [ -3.951768474985538e-09 4.917512636922816e-11 2.2450525533785934e-09 ] [ 2.7699180841225557e-09 -1.4024880559252955e-09 1.0739660657071316e-09 ] [ -2.3142691468797468e-09 -1.6316739741302248e-09 -1.5979403055969427e-09 ] [ -1.9003341597007626e-09 -8.052562126613491e-10 5.7249776102736e-11 ] [ -3.1012578223637206e-09 -2.58569741299804e-09 -4.028166825189427e-10 ] [ -2.1052536710247167e-09 2.175635046929192e-09 5.725779980325297e-09 ] [ -3.3631952748333813e-09 4.56401111100976e-09 3.627809163348089e-09 ] [ -1.684133883007417e-09 4.313741990434061e-09 -1.2944161158871489e-09 ] [ -5.653908259728154e-09 4.354749060172789e-09 -1.4717983767587654e-09 ] [ 4.679212897228128e-10 -2.155396512072908e-09 -1.756660092754157e-09 ] [ -6.005640822434185e-09 3.1477448167985704e-09 -1.8150310720561287e-09 ] [ 4.116846500062397e-09 -5.973579345640032e-10 -1.5437979510502484e-09 ] [ -2.3577419664378857e-09 -1.0124266219198657e-10 -5.2908207508751885e-09 ] [ -2.303641428700994e-09 3.5072976035907267e-09 5.154909550091684e-09 ] [ 4.161927744730157e-09 2.2228383745312012e-09 1.613055400055232e-11 ] [ 1.8452774429565772e-09 6.8830231813400605e-09 -2.6972287727958183e-09 ] [ 1.0005162011385006e-09 2.4892410932430316e-09 -1.1203772771878176e-09 ] [ 3.364346118300102e-09 1.5160309484704877e-09 2.37541477565362e-09 ] [ 4.780843766815335e-10 -7.169854132620077e-10 6.677531052091832e-09 ] [ 1.2663826713353491e-09 2.1940387691193352e-09 -4.9657700365236495e-09 ] [ -2.2754884617732826e-09 -3.359454512859137e-09 4.282179591657287e-09 ] [ 1.3506773490148512e-09 -3.413393551192652e-09 1.6193990581676274e-09 ] [ -3.0984742007027425e-09 -6.6112171219745825e-09 7.637155860643626e-09 ] [ 2.5352368603259444e-09 6.797859162626113e-10 -9.69671257052521e-10 ] [ -3.791717919927087e-09 1.8918918104327807e-10 -6.19825593774572e-09 ] [ 3.593150718469281e-09 2.903426340410185e-09 -1.3321523420545134e-09 ] [ 5.664841032335506e-09 -4.715091239386013e-09 1.1131024340234132e-09 ] [ 2.3116004012824797e-09 -5.083723240652919e-09 -3.966236450306686e-09 ] [ 7.284557481691715e-09 -4.412121563004678e-09 -5.79094338741115e-09 ] [ 1.8330252779019954e-09 -5.676925129062567e-10 -3.933511992826846e-09 ] [ 2.2897013705763995e-09 -1.3641324282763297e-09 -2.8166571009398575e-09 ] [ -1.991846162403982e-09 -6.347311075090945e-10 -3.5192440733460594e-09 ] [ 2.6566477218205614e-09 1.7638472968574036e-09 1.916634223987795e-09 ] [ 3.6827862519142195e-09 3.910767493517969e-09 4.117517010978201e-10 ] [ 3.8769069325963203e-10 6.163164905179296e-10 -4.495131295034298e-09 ] [ 2.562188034570394e-10 6.052762118593209e-10 2.7423978167423983e-09 ] [ -1.4358210200857153e-10 -3.5097713642932417e-09 8.163732355800942e-10 ] [ 1.8041261773219777e-09 -1.4878890365614598e-09 -8.477943223789134e-10 ] [ -1.91856725008079e-09 1.978688447123324e-09 -1.7927023375803496e-09 ] [ 1.0390163451186625e-10 2.9558820836281636e-09 2.306925890773634e-09 ] [ 1.8134639831033244e-09 1.4897767210560864e-09 5.260049987566752e-10 ] [ 6.935026309662663e-10 -1.177139030291858e-09 -5.021247164413133e-10 ] [ -5.242975911754211e-09 2.8484662349162344e-09 1.1035265447962156e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -263.61014 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.223500033138149e-17 } }