{ "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" [ [ -2.2531334000000003 -0.9110031000000002 -2.9876812000000004 ] [ -4.0249785000000005 -0.5560735000000001 1.3310270000000002 ] [ -0.4324177000000001 0.5899466000000001 1.9184434000000004 ] [ 1.0879791000000003 -2.8459918000000006 0.14343230000000004 ] [ 0.018801100000000005 -1.1066998000000001 0.7021286000000001 ] [ -2.4643844000000006 -1.5175690000000004 -0.07031360000000002 ] [ 1.3685476000000003 0.7750787000000002 -3.6029297000000007 ] [ 0.08181140000000002 -0.3845831000000001 2.1174755000000003 ] [ 0.9178740000000002 -4.890544000000001 -1.4739318000000001 ] [ 1.7044304000000003 -4.097480600000001 1.2798174000000002 ] [ 1.0455678000000002 1.8275085000000004 1.3179649000000002 ] [ -0.8461058000000002 -0.5381482000000001 0.003980600000000001 ] [ -1.9145926000000004 0.43690440000000014 -4.864180300000001 ] [ -2.9309737000000005 3.454526700000001 1.2280476000000002 ] [ 1.0463699000000002 -0.39479180000000014 2.4684354000000006 ] [ -0.22150030000000007 -0.16309160000000003 -0.33724430000000005 ] [ 1.3527932000000003 -1.1925753000000001 -4.775848100000001 ] [ 3.505938700000001 -1.4386918000000002 3.156954300000001 ] [ -0.8537459000000002 0.025893000000000006 0.34044720000000006 ] [ -1.5110519000000004 -3.821376200000001 0.041547900000000006 ] [ 0.03516060000000001 -0.7321404000000001 -1.5389452000000003 ] [ -0.08496570000000002 1.4308261000000002 3.100971700000001 ] [ 0.6404664000000001 -1.1727129000000003 -2.3462368000000002 ] [ 0.5980475000000001 -2.5370146000000005 2.2766166000000005 ] [ -2.5033832000000005 -0.43993300000000013 -1.8698677000000004 ] [ -0.6971491000000001 0.9954164000000002 1.9174896000000003 ] [ -4.084008300000001 -2.1180914000000004 -5.201120300000001 ] [ -2.5836486000000005 1.2881726000000002 4.9182329000000005 ] [ 3.315758600000001 2.4629681000000003 -3.2863811000000007 ] [ 2.8303264000000006 0.3300078000000001 2.8538897000000003 ] [ -0.04845810000000001 0.21128540000000007 -0.4769136000000001 ] [ -0.6150062000000001 2.3309612000000004 1.1124836000000002 ] [ -2.0226281000000004 -0.03720860000000001 0.35803560000000006 ] [ 0.4845510000000001 -2.6213993000000007 -0.04253320000000001 ] [ -2.7887034000000006 -5.632702300000001 4.011296200000001 ] [ 0.5877763000000001 -3.4455468000000007 -1.9559629000000005 ] [ -4.117197100000001 -1.5434797000000005 -1.0566169000000003 ] [ -0.8717207000000002 0.7425412000000001 3.152962300000001 ] [ -2.3456326000000005 2.7761983000000003 -1.3319952000000002 ] [ -1.3145893000000002 1.8865422000000005 -0.8282893000000002 ] [ 0.8750706000000003 -1.1027802000000002 -0.21539770000000005 ] [ -0.26205800000000007 2.2181450000000003 2.2815591000000004 ] [ 2.2277759000000006 -1.5553611000000005 -4.3273413000000005 ] [ 2.3422773000000006 0.4788879000000001 1.5962983000000004 ] [ -2.9833187000000003 0.8781455000000002 0.23097390000000007 ] [ -3.200284200000001 -3.068471400000001 -1.6630562000000004 ] [ 1.0405853000000003 5.509058400000001 9.554318600000002 ] [ -0.6659054000000001 0.8753168000000002 -10.441800700000002 ] [ 1.9199593000000004 1.5237518000000005 2.2119956000000003 ] [ 3.542835300000001 2.3410253000000005 -1.8902421000000005 ] [ 4.371541800000001 -6.1936870000000015 -0.5754890000000001 ] [ 1.3493804000000003 -0.8534385000000002 -0.3949669000000001 ] [ 3.585226200000001 -2.6322905000000003 -0.9498686000000002 ] [ 2.2045558000000005 -0.7954327000000002 2.8475143000000003 ] [ -1.0342419000000003 10.182283300000002 -0.9016345000000002 ] [ -0.9891993000000002 1.5991344000000005 -0.5642364000000001 ] [ 0.6217103000000002 7.720591200000002 -3.041498700000001 ] [ 0.16577360000000002 0.34404180000000006 4.076288600000001 ] [ 0.7769254000000002 -4.776346200000001 0.12455510000000003 ] [ 0.6351693000000002 1.7227300000000005 -1.5358023000000005 ] [ 4.525340800000001 0.4915574000000001 0.21297530000000006 ] [ 0.24831960000000006 1.2053861000000001 -2.6136583000000004 ] [ -1.4977256000000003 3.995746300000001 1.8850235000000004 ] [ 1.1080610000000002 2.4660777000000005 2.3888018000000004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.609917686764976e-09 -1.4595878803215656e-09 -4.7867930084810815e-09 ] [ -6.44872650505237e-09 -8.909279684865991e-10 2.1325403586231183e-09 ] [ -6.92809535068022e-10 9.451986578277445e-10 3.073685189131516e-09 ] [ 1.74313469230035e-09 -4.559781562515602e-09 2.2980387962087827e-10 ] [ 3.0122683113497406e-11 -1.7731285604124735e-09 1.1249340369831325e-09 ] [ -3.94837910287411e-09 -2.431413592282747e-09 -1.1265480697242243e-10 ] [ 2.1926549872367787e-09 1.2418129826510962e-09 -5.772529779284631e-09 ] [ 1.3107631347482764e-10 -6.161700566512856e-10 3.3925697691674675e-09 ] [ 1.4705962757561162e-09 -7.835515324348898e-09 -2.3614990900695614e-09 ] [ 2.730798561159274e-09 -6.564887675588301e-09 2.050493534066632e-09 ] [ 1.6751842984227855e-09 2.9279914171363897e-09 2.111612567212147e-09 ] [ -1.3556109426518776e-09 -8.622084716691589e-10 6.377624309300401e-12 ] [ -3.067515527349309e-09 6.999980209717898e-10 -7.793276020223111e-09 ] [ -4.695937577008527e-09 5.5347619602691295e-09 1.9675491701597787e-09 ] [ 1.6764694043009168e-09 -6.325261972548014e-10 3.954869520418445e-09 ] [ -3.548826050839903e-10 -2.6130155072167444e-10 -5.403249374096863e-10 ] [ 2.1674136556740892e-09 -1.9107162799455403e-09 -7.651752233353297e-09 ] [ 5.617133065376337e-09 -2.3050383854874016e-09 5.057998414065828e-09 ] [ -1.367851732353301e-09 4.148515958416201e-11 5.454565489507249e-10 ] [ -2.4209720469413053e-09 -6.122519657363712e-09 6.65670745717686e-11 ] [ 5.633349175742041e-11 -1.1730182416874139e-09 -2.4656620404464574e-09 ] [ -1.3613005923145383e-10 2.292436144737348e-09 4.96830440043526e-09 ] [ 1.0261403009420977e-09 -1.878893206770379e-09 -3.759085778790932e-09 ] [ 9.58177730522115e-10 -4.064745512236857e-09 3.6475419210965254e-09 ] [ -4.0108620689881495e-09 -7.048503731255222e-10 -2.9958583376113225e-09 ] [ -1.1169559984341295e-09 1.594832897180398e-09 3.072157033058007e-09 ] [ -6.543302671322063e-09 -3.3935565497563483e-09 -8.333113415283072e-09 ] [ -4.139461417386813e-09 2.0638800402790286e-09 7.879877832950059e-09 ] [ 5.312430952904554e-09 3.946109940107376e-09 -5.265363008839218e-09 ] [ 4.534682824673339e-09 5.287307861977453e-10 4.572435393353271e-09 ] [ -7.763843554803542e-11 3.385165309853437e-10 -7.640998263568225e-10 ] [ -9.853485634051309e-10 3.734611569400602e-09 1.7823952296282028e-09 ] [ -3.240607481091816e-09 -5.961474950385242e-11 5.736362724601705e-10 ] [ 7.763362901813342e-10 -4.199944706843957e-09 -6.814569920924881e-11 ] [ -4.4679954266363565e-09 -9.02458401133806e-09 6.426805043692993e-09 ] [ 9.417214538789743e-10 -5.520374574313472e-09 -3.1337980553508795e-09 ] [ -6.596476991192564e-09 -2.4729271103933304e-09 -1.692886908269515e-09 ] [ -1.3966505369141242e-09 1.189682160422321e-09 5.0516025249428995e-09 ] [ -3.758117743668669e-09 4.4479600476105226e-09 -2.1340915860401572e-09 ] [ -2.1062042597664166e-09 3.0225738318949555e-09 -1.3270657626522165e-09 ] [ 1.4020176684203607e-09 -1.7668486688778472e-09 -3.451051619573419e-10 ] [ -4.198632043527721e-10 3.5538600898239302e-09 3.65546067911007e-09 ] [ 3.5692904927683217e-09 -2.491963211852538e-09 -6.933165118203185e-09 ] [ 3.752741960408609e-09 7.672630036853287e-10 2.557551837153923e-09 ] [ -4.779803512915256e-09 1.4069442013522474e-09 3.700609856438527e-10 ] [ -5.127420567399385e-09 -4.916233179177269e-09 -2.6645097846688313e-09 ] [ 1.6672014533438806e-09 8.826484643821426e-09 1.5307706014711595e-08 ] [ -1.0668980723344238e-09 1.4024121243076517e-09 -1.6729609098424847e-08 ] [ 3.076113928690997e-09 2.441319529975442e-09 3.544007664830811e-09 ] [ 5.676247935770382e-09 3.750736035262841e-09 -3.028501725223092e-09 ] [ 7.003982126514303e-09 -9.92338058970956e-09 -9.220350289240262e-10 ] [ 2.161945747257574e-09 -1.3673592232560093e-09 -6.328067383834148e-10 ] [ 5.744165645244612e-09 -4.2173943330001776e-09 -1.5218572762902927e-09 ] [ 3.532087791109178e-09 -1.274423685859532e-09 4.562220876440867e-09 ] [ -1.657038206083765e-09 1.6313816384028414e-08 -1.4445777283082734e-09 ] [ -1.5848720048291567e-09 2.5620957703056106e-09 -9.040063761322778e-10 ] [ 9.960897157771305e-10 1.2369750821306024e-08 -4.873018149481378e-09 ] [ 2.655985884540624e-10 5.512157330793013e-10 6.530934348360573e-09 ] [ 1.2447717222411038e-09 -7.652550277534692e-09 1.9955927086553345e-10 ] [ 1.0176534110941364e-09 2.760117752690821e-09 -2.460626559503459e-09 ] [ 7.250395290646869e-09 7.875617805497918e-10 3.412240492791403e-10 ] [ 3.978518608842265e-10 1.931241444368388e-09 -4.1875422575201625e-09 ] [ -2.3996209604636308e-09 6.4018913572519554e-09 3.0201406062408995e-09 ] [ 1.7753094432466743e-09 3.951092068568462e-09 3.827282427217142e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -220.81997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.53792596254581e-17 } }