{ "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" [ 10.7824 0 0 ] "si-unit" "m" "si-value" [ 1.07824e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.41408 9.22677 0 ] "si-unit" "m" "si-value" [ -5.414080000000001e-10 9.22677e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0173756 0.106927 10.4509 ] "si-unit" "m" "si-value" [ -1.73756e-12 1.06927e-11 1.04509e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.022405 -0.0239433 0.16433 ] [ 0.260737 0.140579 2.4466 ] [ 0.147565 0.251436 4.82021 ] [ 0.206283 0.259925 7.58885 ] [ -1.36313 2.25168 -0.353447 ] [ -1.23486 2.38439 2.54685 ] [ -1.46418 2.43005 5.21638 ] [ -1.26736 2.27954 7.45399 ] [ -2.66055 4.76033 0.19569 ] [ -2.95693 4.89047 2.78222 ] [ -2.77415 4.63832 5.09309 ] [ -2.63678 4.64143 7.78966 ] [ -3.95749 6.78637 0.00870698 ] [ -4.02481 6.83839 2.37719 ] [ -4.20455 6.79805 5.0455 ] [ -4.01224 6.89579 7.71526 ] [ 2.58289 -0.00350672 0.0590625 ] [ 2.58727 0.047262 2.33313 ] [ 2.56917 -0.145283 5.15607 ] [ 2.95603 0.183487 7.77408 ] [ 1.3007 2.27961 -0.0341976 ] [ 1.37212 2.34476 2.3577 ] [ 1.26947 2.40224 5.45421 ] [ 1.24688 2.57138 7.84226 ] [ -0.0259455 4.56684 -0.0529383 ] [ 0.00852674 4.5283 2.2772 ] [ 0.0329517 4.67703 5.51476 ] [ 0.083585 4.67736 7.70573 ] [ -1.43327 6.78933 0.31623 ] [ -1.27499 6.9924 2.37892 ] [ -1.24578 6.81888 4.93902 ] [ -1.34125 6.82828 7.8195 ] [ 5.33356 -0.00584066 -0.124625 ] [ 5.19031 0.2899 2.78732 ] [ 5.46026 0.422198 5.42526 ] [ 5.34763 0.146838 7.40277 ] [ 4.08231 2.57294 -0.173128 ] [ 3.9608 2.26866 2.20217 ] [ 4.17287 2.11979 4.93866 ] [ 3.85816 2.2977 7.98184 ] [ 2.36966 4.6883 -0.185466 ] [ 2.5877 4.53437 2.3207 ] [ 2.50877 4.59761 5.30107 ] [ 2.63557 4.60316 7.67272 ] [ 1.35054 7.05944 -0.213264 ] [ 1.52604 7.11907 2.5156 ] [ 1.29568 6.68366 5.46853 ] [ 1.25512 6.89463 7.27073 ] [ 7.73075 0.155819 -0.306346 ] [ 7.71489 -0.0373306 2.82209 ] [ 7.90931 0.155788 5.08832 ] [ 8.08011 0.395472 7.93708 ] [ 6.47511 2.45814 -0.137605 ] [ 6.62493 2.43981 2.11224 ] [ 6.87448 2.09649 5.23574 ] [ 6.57009 2.39906 7.79228 ] [ 5.23681 4.60255 -0.0919086 ] [ 5.13016 4.55956 2.14097 ] [ 5.02538 4.812 5.01824 ] [ 5.22903 4.66206 7.77896 ] [ 3.60579 6.85041 -0.100719 ] [ 4.14774 6.71666 2.86044 ] [ 3.8916 6.91923 5.14267 ] [ 3.72623 6.9091 7.66845 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2405000000000004e-12 -2.39433e-12 1.6433e-11 ] [ 2.60737e-11 1.4057900000000002e-11 2.4466e-10 ] [ 1.47565e-11 2.51436e-11 4.820210000000001e-10 ] [ 2.0628300000000002e-11 2.5992500000000004e-11 7.58885e-10 ] [ -1.36313e-10 2.25168e-10 -3.53447e-11 ] [ -1.2348600000000002e-10 2.38439e-10 2.5468500000000004e-10 ] [ -1.46418e-10 2.4300500000000003e-10 5.216380000000001e-10 ] [ -1.26736e-10 2.27954e-10 7.45399e-10 ] [ -2.66055e-10 4.76033e-10 1.9569e-11 ] [ -2.95693e-10 4.89047e-10 2.78222e-10 ] [ -2.77415e-10 4.6383200000000006e-10 5.093090000000001e-10 ] [ -2.63678e-10 4.64143e-10 7.78966e-10 ] [ -3.95749e-10 6.78637e-10 8.70698e-13 ] [ -4.0248100000000005e-10 6.838390000000001e-10 2.37719e-10 ] [ -4.20455e-10 6.79805e-10 5.0455e-10 ] [ -4.01224e-10 6.89579e-10 7.71526e-10 ] [ 2.58289e-10 -3.50672e-13 5.90625e-12 ] [ 2.58727e-10 4.7262e-12 2.33313e-10 ] [ 2.56917e-10 -1.45283e-11 5.15607e-10 ] [ 2.95603e-10 1.8348700000000002e-11 7.77408e-10 ] [ 1.3007e-10 2.27961e-10 -3.4197600000000004e-12 ] [ 1.37212e-10 2.34476e-10 2.3577e-10 ] [ 1.26947e-10 2.40224e-10 5.45421e-10 ] [ 1.24688e-10 2.57138e-10 7.84226e-10 ] [ -2.59455e-12 4.56684e-10 -5.29383e-12 ] [ 8.52674e-13 4.5283e-10 2.2772000000000002e-10 ] [ 3.29517e-12 4.677030000000001e-10 5.51476e-10 ] [ 8.3585e-12 4.67736e-10 7.70573e-10 ] [ -1.43327e-10 6.78933e-10 3.1623e-11 ] [ -1.2749900000000002e-10 6.992400000000001e-10 2.37892e-10 ] [ -1.24578e-10 6.81888e-10 4.93902e-10 ] [ -1.3412500000000002e-10 6.828280000000001e-10 7.8195e-10 ] [ 5.333560000000001e-10 -5.840660000000001e-13 -1.24625e-11 ] [ 5.19031e-10 2.899e-11 2.78732e-10 ] [ 5.46026e-10 4.2219800000000005e-11 5.42526e-10 ] [ 5.347629999999999e-10 1.46838e-11 7.40277e-10 ] [ 4.08231e-10 2.5729400000000003e-10 -1.73128e-11 ] [ 3.9608e-10 2.2686600000000003e-10 2.2021700000000002e-10 ] [ 4.17287e-10 2.1197900000000002e-10 4.938659999999999e-10 ] [ 3.85816e-10 2.2977e-10 7.981840000000001e-10 ] [ 2.3696600000000003e-10 4.6883e-10 -1.85466e-11 ] [ 2.5877e-10 4.53437e-10 2.3207e-10 ] [ 2.5087700000000004e-10 4.597610000000001e-10 5.30107e-10 ] [ 2.63557e-10 4.60316e-10 7.67272e-10 ] [ 1.3505400000000002e-10 7.059440000000001e-10 -2.1326400000000002e-11 ] [ 1.52604e-10 7.119070000000001e-10 2.5156e-10 ] [ 1.29568e-10 6.68366e-10 5.468530000000001e-10 ] [ 1.25512e-10 6.89463e-10 7.270730000000001e-10 ] [ 7.730749999999999e-10 1.55819e-11 -3.06346e-11 ] [ 7.71489e-10 -3.73306e-12 2.8220900000000004e-10 ] [ 7.90931e-10 1.55788e-11 5.088320000000001e-10 ] [ 8.08011e-10 3.95472e-11 7.93708e-10 ] [ 6.47511e-10 2.4581400000000004e-10 -1.37605e-11 ] [ 6.62493e-10 2.4398100000000003e-10 2.11224e-10 ] [ 6.87448e-10 2.0964900000000004e-10 5.23574e-10 ] [ 6.570090000000001e-10 2.39906e-10 7.79228e-10 ] [ 5.23681e-10 4.6025500000000003e-10 -9.19086e-12 ] [ 5.13016e-10 4.5595600000000006e-10 2.14097e-10 ] [ 5.02538e-10 4.812000000000001e-10 5.01824e-10 ] [ 5.22903e-10 4.662060000000001e-10 7.77896e-10 ] [ 3.60579e-10 6.850410000000001e-10 -1.00719e-11 ] [ 4.14774e-10 6.71666e-10 2.86044e-10 ] [ 3.8916000000000003e-10 6.919230000000001e-10 5.14267e-10 ] [ 3.7262300000000003e-10 6.909099999999999e-10 7.668450000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5579326000000001 -0.16375440000000002 -1.3452155000000001 ] [ -1.3190558000000001 0.020492500000000004 0.9164755000000002 ] [ -0.32765690000000003 -0.2992733000000001 1.0215094000000002 ] [ 0.14926290000000003 -0.5352560000000001 0.042233200000000005 ] [ 0.30302920000000005 -0.17460780000000004 0.5036721000000001 ] [ -0.2693459000000001 -0.08629550000000001 0.28570210000000007 ] [ 0.32462130000000006 -0.14879330000000002 -1.9760382000000005 ] [ -0.04384840000000001 0.10359540000000003 2.2107951000000003 ] [ -0.14185980000000004 -1.2954422000000003 -0.7752389000000002 ] [ 0.6520116000000001 -1.5531721000000005 -0.7651005000000002 ] [ 0.13784120000000002 0.4932976000000001 0.5768253000000001 ] [ -0.26733070000000003 0.22176190000000007 -0.16261010000000004 ] [ -0.32965370000000005 0.6571751000000001 -1.1686871000000003 ] [ -1.0944264000000001 1.1837902000000002 1.0531938000000003 ] [ 0.26388580000000006 0.19532040000000006 0.6942348000000002 ] [ -0.20153250000000006 -0.2931423000000001 -0.06185900000000001 ] [ 0.02491060000000001 -0.4882737000000001 -1.9138867000000004 ] [ 0.9328189000000002 -0.4894079000000001 1.5171931000000005 ] [ 0.12160510000000002 0.0014809000000000005 0.25267750000000005 ] [ -1.2742488000000003 -1.2606483000000002 -0.10059300000000003 ] [ -0.4536303000000001 -0.34682560000000007 -1.0432514000000002 ] [ 0.034940500000000006 0.11376870000000003 0.4749982000000001 ] [ 0.35927630000000005 -0.25337380000000004 -0.9596539000000002 ] [ 0.14635900000000002 -1.3532319000000002 0.37572260000000013 ] [ -0.6697858000000001 0.25257920000000006 -0.7789281000000002 ] [ -0.37100120000000003 0.08254580000000002 0.9598156000000002 ] [ -1.2583508000000003 -0.6949731000000001 -2.9492094000000004 ] [ -0.8751418000000002 0.4355397000000001 2.6268334000000007 ] [ 0.3822947000000001 0.17821070000000003 -5.002024800000001 ] [ 0.7384917000000001 0.35586730000000005 5.020570600000001 ] [ -0.4676029000000001 -0.011663400000000003 -0.08582100000000001 ] [ -0.6144775000000001 0.4083673000000001 0.13966380000000003 ] [ -0.25739110000000004 0.10914180000000002 -0.014659900000000003 ] [ 0.4563971000000001 -0.4967632000000001 -0.19096710000000006 ] [ -0.034772700000000004 -2.3714199000000002 -6.265052200000002 ] [ -0.06944400000000002 -1.1079916000000003 6.628703700000002 ] [ -0.9281271000000002 -1.1652421000000002 -0.010379800000000002 ] [ -0.15761290000000003 0.2544484000000001 1.2913749000000003 ] [ -1.7503272000000005 1.7814098000000005 -0.8706897000000002 ] [ 0.19406050000000005 0.8727244000000002 -0.5759298000000002 ] [ 0.9147117000000002 0.007411600000000002 0.07840690000000002 ] [ -0.28164920000000004 0.6321594000000001 0.4631184000000001 ] [ 0.8111021000000003 -0.44336720000000013 -1.0977926000000002 ] [ 0.7268756000000001 0.14802390000000004 0.9631053000000003 ] [ -1.1589579000000003 0.28931700000000005 0.6152497000000001 ] [ -0.4941425000000001 -1.6345459000000004 -0.6176401000000001 ] [ 0.4680517000000001 0.19727890000000006 -9.582911700000002 ] [ -0.3204485000000001 1.4749023000000003 9.751929300000002 ] [ 0.7020501000000001 0.014429700000000004 1.2991527000000003 ] [ 0.14947290000000002 1.4668483000000003 -1.0626862000000001 ] [ 1.6159877000000005 -1.5431301000000004 0.22584870000000007 ] [ 0.36945600000000006 -0.4929929000000001 -1.1771139000000002 ] [ 1.1885789000000002 -0.7415108000000001 -1.2208019000000003 ] [ 0.5940395000000002 -0.09875230000000003 1.8939519000000005 ] [ 0.13492420000000002 3.916285300000001 0.26850560000000007 ] [ -0.03641830000000001 0.28099080000000004 -0.42916690000000013 ] [ 0.4424740000000001 1.6983966000000004 -2.0146640000000002 ] [ 0.055904900000000014 -0.003160800000000001 2.4511370000000006 ] [ 0.26611490000000004 -0.7744969000000003 0.4900386000000001 ] [ 0.23692190000000005 0.6805307000000002 -0.29923370000000005 ] [ 1.4557315000000002 0.4354307000000001 -0.4100184000000001 ] [ -0.15249940000000003 0.37035780000000007 -1.2702085000000003 ] [ 0.3649489000000001 0.6987084000000001 0.6065780000000001 ] [ 0.4595199000000001 0.28891980000000006 0.49881740000000013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.939065677021583e-10 -2.6236347123313156e-10 -2.1552728240377828e-09 ] [ -2.113360364290641e-09 3.283260440174401e-11 1.4683556196359907e-09 ] [ -5.249642248238036e-10 -4.794886844896648e-10 1.636638478607436e-09 ] [ 2.391455287328084e-10 -8.575746493429249e-10 6.766504566157058e-11 ] [ 4.855062996597274e-10 -2.797525349693223e-10 8.069716631692399e-10 ] [ -4.315397038883349e-10 -1.3826063258024642e-10 4.577452251334638e-10 ] [ 5.201006574737032e-10 -2.3839314659168067e-10 -3.1659622058477157e-09 ] [ -7.025288133948674e-11 1.659781279024244e-10 3.5420842225991988e-09 ] [ -2.272844549913639e-10 -2.0755272064377185e-09 -1.2420696411147095e-09 ] [ 1.0446377420104016e-09 -2.4884560266988407e-09 -1.2258261336623908e-09 ] [ 2.20845948023017e-10 7.903498818167503e-10 9.241760099459465e-10 ] [ -4.283109975620986e-10 3.5530173156418764e-10 -2.6053010052595014e-10 ] [ -5.28163451100217e-10 1.0529105809919024e-09 -1.8724431486505524e-09 ] [ -1.7534643912663095e-09 1.8966409823721567e-09 1.6874024835315116e-09 ] [ 4.2279165932110474e-10 3.129377784453044e-10 1.112286765905764e-09 ] [ -3.228906598313761e-10 -4.696657396275399e-10 -9.910904358606723e-11 ] [ 3.9911180930100496e-11 -7.823007066915131e-10 -3.0663845256000642e-09 ] [ 1.4945406330203735e-09 -7.841178954148246e-10 2.4308113140590775e-09 ] [ 1.9483284819004612e-10 2.3726633577427208e-12 4.048339831021921e-10 ] [ -2.0415716364424557e-09 -2.019781233311265e-09 -1.6116775281613446e-10 ] [ -7.267958611464904e-10 -5.556758678149326e-10 -1.6714730026968695e-09 ] [ 5.5980852219062414e-11 1.82277551318809e-10 7.610310109620828e-10 ] [ 5.756240882675271e-10 -4.059495786832551e-10 -1.5375350426395415e-09 ] [ 2.344929680436672e-10 -2.168116512700764e-09 6.019739656261903e-10 ] [ -1.073115149703825e-09 4.0467648914036746e-10 -1.2479803911041649e-09 ] [ -5.94409448928745e-10 1.3225295090523267e-10 1.5377941145991249e-09 ] [ -2.016100232524977e-09 -1.1134696529049007e-09 -4.725154350523597e-09 ] [ -1.4021317318448297e-09 6.978115247702459e-10 4.208651060216576e-09 ] [ 6.125036305957499e-10 2.855250171164026e-10 -8.014127191221798e-09 ] [ 1.1831941363948476e-09 5.7016226816722e-10 8.043840838395831e-09 ] [ -7.491824341982805e-10 -1.8686826799038725e-11 -1.375003997736768e-10 ] [ -9.845014845076323e-10 6.5427654075922e-10 2.237660751320871e-10 ] [ -4.12386002821995e-10 1.748644403120295e-10 -2.3487749043265925e-11 ] [ 7.312287634209199e-10 -7.959023851137948e-10 -3.059630229619758e-10 ] [ -5.571200698209217e-11 -3.799433521879874e-09 -1.003772016293161e-08 ] [ -1.1126155325483524e-10 -1.7751982375627858e-09 1.062035409435046e-08 ] [ -1.487023540750904e-09 -1.866923650191896e-09 -1.6630272888579842e-11 ] [ -2.5252370351648837e-10 4.0767127767996685e-10 2.0690106734679385e-09 ] [ -2.8043333185903265e-09 2.854133133624005e-09 -1.3949986813113662e-09 ] [ 3.109191961207585e-10 1.3982586300817079e-09 -9.227412607820202e-10 ] [ 1.4655297005122239e-09 1.1874692242721283e-11 1.2562170208940356e-10 ] [ -4.5125176350702344e-10 1.012831011298956e-09 7.419974731423029e-10 ] [ 1.2995288217017842e-09 -7.103525622695579e-10 -1.7588576382072466e-09 ] [ 1.1645830925499727e-09 2.3716043189963717e-10 1.5430647950285708e-09 ] [ -1.856855251871465e-09 4.6353693339999367e-10 9.85738685294214e-10 ] [ -7.917035608436642e-10 -2.6188312266044956e-09 -9.895685282885743e-10 ] [ 7.499014910656955e-10 3.1607564135714125e-10 -1.5353517084930787e-08 ] [ -5.134150948704289e-10 2.3630539830241483e-09 1.5624313132154513e-08 ] [ 1.1248082568503023e-09 2.3118927985157767e-11 2.0814720827891968e-09 ] [ 2.3948198582317637e-10 2.350150052520225e-09 -1.7026109848867932e-09 ] [ 2.589097712440365e-09 -2.4723669690727667e-09 3.618495069780731e-10 ] [ 5.91933765614285e-10 -7.898616986003925e-10 -1.8859443705987096e-09 ] [ 1.9043133255561816e-09 -1.188031267830705e-09 -1.95594026280822e-09 ] [ 9.517561987317219e-10 -1.582186263102279e-10 3.0344454550997403e-09 ] [ 2.1617239882014342e-10 6.2745807480427164e-09 4.301933948738766e-10 ] [ -5.834854882928066e-11 4.501968904198887e-10 -6.876011736012118e-10 ] [ 7.089214981118594e-10 2.72113132536621e-09 -3.2278475595674115e-09 ] [ 8.956952376816194e-11 -5.064159863024642e-12 3.927154395777851e-09 ] [ 4.2636307122653e-10 -1.240880826062076e-09 7.85128388209563e-10 ] [ 3.795907291355156e-10 1.090330377276659e-09 -4.794252382954811e-10 ] [ 2.3323389754621155e-09 6.976368875185788e-10 -6.569218945778229e-10 ] [ -2.4433097336602756e-10 5.933786084909224e-10 -2.0350983622414372e-09 ] [ 5.847125953666773e-10 1.119454263236575e-09 9.718450902916225e-10 ] [ 7.362320405723541e-10 4.62900548846212e-10 7.991935763282422e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -250.98035 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.021148490502013e-17 } }