{ "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" [ 10.7273634 0 0 ] "si-unit" "m" "si-value" [ 1.07273634e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7273634 0 ] "si-unit" "m" "si-value" [ 0.0 1.07273634e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7273634 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07273634e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.21377030452 0.0563125 1.2912944 ] [ 0.8976564746510001 3.4276614 0.9628184 ] [ 2.77184944462 4.8519534 0.8880078 ] [ 3.06442978639 1.0867944 3.4618754 ] [ 4.85618615881 2.5758984 3.1287184 ] [ 1.27636094377 2.7351484 3.2348454 ] [ 0.032681315581 4.0814974 4.7880054 ] [ 3.19259516734 4.2357514 3.0949614 ] [ 1.74549016635 0.501631 7.0866474 ] [ 2.71083373678 2.5436094 6.2571034 ] [ 1.82844083884 4.6881544 6.1646784 ] [ 5.00120999727 2.7830024 6.7832324 ] [ 1.67937095052 2.5162484 8.4980134 ] [ 5.29608974566 2.0928404 9.890123399999998 ] [ 3.09394978387 1.1886634 9.892166399999999 ] [ 2.19610230631 4.8460154 8.4728544 ] [ 4.10627732065 4.1877604 9.777425399999998 ] [ 2.49273626885 7.1689504 0.7237711 ] [ 0.73244835583 7.4255494 2.1496434 ] [ 1.08234378554 9.723728399999999 2.1337024 ] [ 4.24974133584 8.6601764 1.1778904 ] [ 2.26042799741 7.4935164 4.0763194 ] [ 3.50755280462 5.6931804 4.9409694 ] [ 4.06473515015 10.2643734 4.9103844 ] [ 4.35512425166 8.3895594 3.4931584 ] [ 4.51304527492 6.6599684 6.8717674 ] [ 2.08341822783 9.2189044 5.7439464 ] [ 0.112207971214 5.6723194 9.331266399999999 ] [ 1.26875704576 7.7639324 9.573386399999999 ] [ 5.20306083258 7.8442044 9.915327399999999 ] [ 3.38272000618 8.069854399999999 8.440456399999999 ] [ 3.69611531697 10.4059334 8.2278364 ] [ 5.41540082438 1.1462964 1.3210624 ] [ 9.09054030464 1.4714254 1.1371174 ] [ 8.261713410039999 3.6176724 1.7455734 ] [ 9.919850788069999 4.9974894 0.7567007 ] [ 9.957896203299999 1.3933974 3.2790474 ] [ 8.11804548957 1.7933464 4.7329544 ] [ 7.31540690772 5.0229914 3.4637784 ] [ 6.30859955646 3.3387054 4.8486364 ] [ 5.36954795201 0.4386996000000001 6.7246454 ] [ 9.74027952725 2.5346444 6.2391424 ] [ 9.997682502 0.3599027 7.1984124 ] [ 5.52914919646 4.8406564 7.9491614 ] [ 8.1538711563 3.7096894 7.4199644 ] [ 10.6976259251 1.9115034 10.1381034 ] [ 7.14907794402 3.5607304 10.4412534 ] [ 9.34037320928 3.7444664 9.4750114 ] [ 7.38703191253 10.4864334 1.1552294 ] [ 8.28344407597 8.2361054 0.5297284 ] [ 10.5679422858 8.918648399999999 0.3456757 ] [ 6.41012104365 7.2384134 3.7545914 ] [ 9.352619032389999 5.9295864 4.3603854 ] [ 7.91565831886 8.8332904 2.7955764 ] [ 9.931558472039999 9.8311864 3.5268204 ] [ 6.52045266264 7.6029404 6.0913674 ] [ 8.13745620109 5.8666654 6.4194484 ] [ 10.3457696753 6.9372664 6.2938964 ] [ 7.79511297434 8.837734399999999 7.6624984 ] [ 7.72653566934 10.7927734 6.3149904 ] [ 10.4285057725 9.233206399999998 5.7226844 ] [ 6.00220265615 5.5979944 10.1644834 ] [ 9.108498232839999 6.9809244 8.275955399999999 ] [ 6.87664920361 9.475838399999999 9.749998399999999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.21377030452e-10 5.63125e-12 1.2912944e-10 ] [ 8.976564746510001e-11 3.4276614e-10 9.628184e-11 ] [ 2.77184944462e-10 4.851953400000001e-10 8.880078e-11 ] [ 3.06442978639e-10 1.0867944e-10 3.4618753999999997e-10 ] [ 4.85618615881e-10 2.5758984e-10 3.1287184e-10 ] [ 1.2763609437700002e-10 2.7351484e-10 3.2348454e-10 ] [ 3.2681315581000004e-12 4.0814974e-10 4.788005400000001e-10 ] [ 3.19259516734e-10 4.2357514e-10 3.0949614e-10 ] [ 1.7454901663500002e-10 5.0163100000000004e-11 7.0866474e-10 ] [ 2.7108337367800005e-10 2.5436094e-10 6.257103400000001e-10 ] [ 1.82844083884e-10 4.6881544e-10 6.1646784e-10 ] [ 5.00120999727e-10 2.7830024e-10 6.7832324e-10 ] [ 1.67937095052e-10 2.5162484e-10 8.4980134e-10 ] [ 5.29608974566e-10 2.0928404e-10 9.8901234e-10 ] [ 3.09394978387e-10 1.1886634e-10 9.8921664e-10 ] [ 2.19610230631e-10 4.8460154e-10 8.472854399999999e-10 ] [ 4.10627732065e-10 4.1877604e-10 9.7774254e-10 ] [ 2.49273626885e-10 7.1689504e-10 7.237711e-11 ] [ 7.3244835583e-11 7.425549400000001e-10 2.1496434e-10 ] [ 1.08234378554e-10 9.723728399999999e-10 2.1337024000000002e-10 ] [ 4.2497413358399996e-10 8.660176399999999e-10 1.1778904e-10 ] [ 2.26042799741e-10 7.4935164e-10 4.0763194000000003e-10 ] [ 3.50755280462e-10 5.6931804e-10 4.9409694e-10 ] [ 4.06473515015e-10 1.02643734e-09 4.9103844e-10 ] [ 4.355124251660001e-10 8.3895594e-10 3.4931584e-10 ] [ 4.5130452749199996e-10 6.659968400000001e-10 6.871767400000001e-10 ] [ 2.0834182278300002e-10 9.2189044e-10 5.7439464e-10 ] [ 1.12207971214e-11 5.672319400000001e-10 9.3312664e-10 ] [ 1.26875704576e-10 7.7639324e-10 9.573386399999999e-10 ] [ 5.203060832580001e-10 7.8442044e-10 9.9153274e-10 ] [ 3.38272000618e-10 8.069854399999999e-10 8.440456399999999e-10 ] [ 3.69611531697e-10 1.04059334e-09 8.2278364e-10 ] [ 5.41540082438e-10 1.1462964000000001e-10 1.3210624e-10 ] [ 9.09054030464e-10 1.4714254000000001e-10 1.1371174e-10 ] [ 8.261713410039999e-10 3.6176724e-10 1.7455734e-10 ] [ 9.91985078807e-10 4.9974894e-10 7.567007e-11 ] [ 9.957896203299999e-10 1.3933974e-10 3.2790474e-10 ] [ 8.118045489569999e-10 1.7933464e-10 4.7329544e-10 ] [ 7.31540690772e-10 5.022991400000001e-10 3.4637784e-10 ] [ 6.30859955646e-10 3.3387054e-10 4.8486364e-10 ] [ 5.36954795201e-10 4.386996000000001e-11 6.7246454e-10 ] [ 9.740279527249999e-10 2.5346444e-10 6.2391424e-10 ] [ 9.997682502e-10 3.5990270000000004e-11 7.1984124e-10 ] [ 5.52914919646e-10 4.840656400000001e-10 7.949161400000001e-10 ] [ 8.1538711563e-10 3.7096894e-10 7.4199644e-10 ] [ 1.0697625925100002e-09 1.9115034e-10 1.0138103400000001e-09 ] [ 7.149077944020001e-10 3.5607304000000004e-10 1.0441253400000001e-09 ] [ 9.34037320928e-10 3.7444664e-10 9.4750114e-10 ] [ 7.38703191253e-10 1.04864334e-09 1.1552294000000001e-10 ] [ 8.28344407597e-10 8.236105399999999e-10 5.2972840000000004e-11 ] [ 1.05679422858e-09 8.918648399999999e-10 3.4567569999999996e-11 ] [ 6.41012104365e-10 7.2384134e-10 3.7545914e-10 ] [ 9.35261903239e-10 5.9295864e-10 4.3603854000000004e-10 ] [ 7.91565831886e-10 8.8332904e-10 2.7955764e-10 ] [ 9.93155847204e-10 9.8311864e-10 3.5268204e-10 ] [ 6.52045266264e-10 7.6029404e-10 6.091367400000001e-10 ] [ 8.13745620109e-10 5.8666654e-10 6.4194484e-10 ] [ 1.03457696753e-09 6.937266400000001e-10 6.293896400000001e-10 ] [ 7.795112974340001e-10 8.837734399999999e-10 7.6624984e-10 ] [ 7.726535669339999e-10 1.07927734e-09 6.3149904e-10 ] [ 1.04285057725e-09 9.233206399999999e-10 5.7226844e-10 ] [ 6.00220265615e-10 5.597994400000001e-10 1.01644834e-09 ] [ 9.108498232839999e-10 6.9809244e-10 8.275955399999999e-10 ] [ 6.876649203610001e-10 9.475838399999999e-10 9.7499984e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5943036 0.8485456 -4.0850879 ] [ 3.514444 -0.8201265 2.9898625 ] [ 2.3512183 1.2393147 -3.7268444 ] [ -0.8199776 0.7311588 0.4677509 ] [ -0.0454411 0.1189033 0.7605831 ] [ -2.1634447 -1.832368 0.7066012 ] [ -1.5722877 2.6412287 -2.3169847 ] [ 1.8912309 -2.5266771 -3.2781326 ] [ -1.376522 -1.2289931 1.5298763 ] [ -0.0402444 -1.8076049 0.7263943 ] [ -5.6691419 0.2221061 2.6312002 ] [ 0.3724537 -2.5062169 -1.997589 ] [ 2.5393288 2.3363347 -1.1674666 ] [ 1.2155976 -2.0541004 -0.663406 ] [ -1.2988014 0.4973754 1.9883177 ] [ -3.2915751 -1.0713656 2.6374255 ] [ -1.706597 -0.9477295 4.2924944 ] [ 3.4788477 0.7685037 -2.3896179 ] [ -4.8807639 -1.9062515 4.4652021 ] [ 0.3558161 4.807956 2.4735949 ] [ 0.344944 -3.5126381 1.3956544 ] [ -0.779484 -1.5610302 -1.2635494 ] [ -0.4456616 1.8448897 -1.0779369 ] [ 4.1572039 2.8903494 -1.7506046 ] [ 0.8262588 -3.6968938 -0.3165642 ] [ 3.0881646 2.8092164 -2.2477083 ] [ 1.8863603 0.3369666 2.7080444 ] [ -1.3155327 0.7783186 -1.6101402 ] [ -0.9728825 -0.0521048 -5.0047454 ] [ -0.6884266 -2.0734676 2.9727862 ] [ -0.8008789 2.3651051 -1.365725 ] [ 0.3612151 -1.968201 -1.169988 ] [ -0.3207605 1.4085007 1.6816865 ] [ -1.6205705 0.6655024 -3.47011 ] [ -2.0165593 1.3048387 1.7279231 ] [ -0.3573082 6.92307 3.5029736 ] [ 0.641577 1.7834086 2.2314111 ] [ -7.1235015 1.3143369 -0.9687251 ] [ 1.5702484 2.0649222 0.8022658 ] [ -0.4217355 -1.5788191 -1.2676457 ] [ 2.3859004 -1.1021842 -0.1266261 ] [ -0.8732563 -1.5198847 -3.2544133 ] [ 0.0333631 -3.4956445 3.0621234 ] [ 4.5875403 0.0075315 -1.1653523 ] [ -2.9331008 -0.1950736 0.4276504 ] [ 2.1410018 -5.6596803 -2.0098012 ] [ -0.8366305 0.4088123 -2.5806064 ] [ -0.5835038 -0.1891074 2.3603246 ] [ -0.9818605 0.4600557 -0.5688631 ] [ 2.3642287 -0.1729397 1.7949065 ] [ -0.3304429 -0.6543894 -4.868299 ] [ 1.2207298 2.7963373 -3.4165152 ] [ 0.110906 0.039357 -1.8898614 ] [ -0.3201101 0.0690153 0.4626365 ] [ 1.4062503 -6.7257266 5.1696762 ] [ -2.0935365 0.0193696 -2.1645628 ] [ -0.2685735 -0.1577351 2.7935994 ] [ 2.8458175 -4.2061617 -1.5194934 ] [ 0.1800151 1.0404226 2.4710562 ] [ 1.1228463 2.1679791 -0.7895946 ] [ -1.9137076 2.248938 0.9993911 ] [ 0.345936 2.0873242 0.9820873 ] [ 4.0774008 2.1063439 4.2560342 ] [ 2.0402795 1.0707768 -1.9789733 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.156532609422082e-09 1.3595199332035104e-09 -6.545032381216129e-09 ] [ 5.630760058301496e-09 -1.313987515224201e-09 4.790287836372825e-09 ] [ 3.767067021693203e-09 1.98560105451272e-09 -5.97106301623375e-09 ] [ -1.3137489511233983e-09 1.1714455451034793e-09 7.494195625124706e-10 ] [ -7.28046686432574e-11 1.905040889654922e-10 1.2185884710352852e-09 ] [ -3.4662205472911396e-09 -2.935777194489312e-09 1.132099932196361e-09 ] [ -2.519082614865602e-09 4.231714908190196e-09 -3.7122187476754995e-09 ] [ 3.0300859574787907e-09 -4.048183011282881e-09 -5.252147454873669e-09 ] [ -2.205431384586948e-09 -1.9690640281672256e-09 2.451132060770374e-09 ] [ -6.44786373293496e-11 -2.8961023342839066e-09 1.1638119745307863e-09 ] [ -9.082966687010365e-09 3.558532036888674e-10 4.215647479816127e-09 ] [ 5.967366153868458e-10 -4.015402156915915e-09 -3.200490420135426e-09 ] [ 4.068453269403259e-09 3.7432208655434e-09 -1.8704877074954242e-09 ] [ 1.9476020710664783e-09 -3.291031664770053e-09 -1.0628935920554041e-09 ] [ -2.080909255286488e-09 7.968832442064037e-10 3.185636159908622e-09 ] [ -5.273684714276214e-09 -1.7165169307913905e-09 4.225621510015767e-09 ] [ -2.734269837054498e-09 -1.518430060252503e-09 6.87733422925585e-09 ] [ 5.5737284981846424e-09 1.2312786712825458e-09 -3.828589963568149e-09 ] [ -7.819845876650712e-09 -3.054151611827451e-09 7.1540424707077315e-09 ] [ 5.700802414210075e-10 7.703194760500105e-09 3.963135950761567e-09 ] [ 5.526612168384959e-10 -5.627866687518156e-09 2.2360848688192894e-09 ] [ -1.248871051376856e-09 -2.501046111408347e-09 -2.0244293245847198e-09 ] [ -7.140286021910543e-10 2.9558391696472697e-09 -1.7270453141063948e-09 ] [ 6.660574951353672e-09 4.630850272775919e-09 -2.8047777854929164e-09 ] [ 1.3238125429968792e-09 -5.9230768647394685e-09 -5.071917644009028e-10 ] [ 4.947785164065956e-09 4.500860875929597e-09 -3.6012257183078626e-09 ] [ 3.02228239596523e-09 5.398800129584244e-10 4.33876546151455e-09 ] [ -2.107715753202932e-09 1.2470038747275924e-09 -2.5797290059040867e-09 ] [ -1.558729609127505e-09 -8.34810930792432e-11 -8.018486138998984e-09 ] [ -1.1029810127440644e-09 -3.322061340076058e-09 4.762928587517651e-09 ] [ -1.2831494602436226e-09 3.789316128174233e-09 -2.18813268346965e-09 ] [ 5.787303930679734e-10 -3.1534056532154343e-09 -1.874527435660392e-09 ] [ -5.13914978210157e-10 2.256666910512644e-09 2.6943588160132412e-09 ] [ -2.596440188849697e-09 1.0662523951509217e-09 -5.55972915940974e-09 ] [ -3.2308841915353963e-09 2.0905820762789357e-09 2.7684380161688454e-09 ] [ -5.724708491765988e-10 1.109198098954638e-08 5.612382451438862e-09 ] [ 1.027919678311818e-09 2.8573355877946525e-09 3.5751147252682372e-09 ] [ -1.141310765556395e-08 2.1057998703839946e-09 -1.5520687199893133e-09 ] [ 2.5158152960558856e-09 3.3083700998678747e-09 1.2853715190173173e-09 ] [ -6.756947638283069e-10 -2.5295470713329095e-09 -2.030992320730574e-09 ] [ 3.8226338719312535e-09 -1.7658937716039826e-09 -2.0287737867454738e-10 ] [ -1.3991108393532942e-09 -2.4351237527140997e-09 -5.214144946638832e-09 ] [ 5.34535792578054e-11 -5.600639938670613e-09 4.906062561904636e-09 ] [ 7.35004987619335e-09 1.2066793318971e-11 -1.867100225438158e-09 ] [ -4.6993455669267074e-09 -3.125423638302624e-10 6.851714784007536e-10 ] [ 3.4302630573119414e-09 -9.06780753257011e-09 -3.220056521625161e-09 ] [ -1.3404298383917371e-09 6.549895147517982e-10 -4.134587275630858e-09 ] [ -9.348761542102093e-10 -3.029834575964916e-10 3.781656922775397e-09 ] [ -1.573113950947557e-09 7.370904928785138e-10 -9.114191667648053e-10 ] [ 3.787911980572196e-09 -2.770799464309698e-10 2.875757254514721e-09 ] [ -5.294278932511986e-10 -1.0484474062172796e-09 -7.799874905125567e-09 ] [ 1.955824761987493e-09 4.480226282842648e-09 -5.473860823145837e-09 ] [ 1.77691001770404e-10 6.3056865784338e-11 -3.0278917765785275e-09 ] [ -5.128729225274034e-10 1.105747010485002e-10 7.41225390335541e-10 ] [ 2.25306137221549e-09 -1.0775802005192264e-08 8.28273441298591e-09 ] [ -3.354215262726141e-09 3.10335205299264e-11 -3.4680119409856153e-09 ] [ -4.30302186211599e-10 -2.527194915816534e-10 4.47583968343642e-09 ] [ 4.559502303128295e-09 -6.739013994565718e-09 -2.4344968209972156e-09 ] [ 2.8841598698717344e-10 1.6669407792055286e-09 3.959068504940831e-09 ] [ 1.7989981054333542e-09 3.4734854570203496e-09 -1.2650700184525764e-09 ] [ -3.0660976010282182e-09 3.603195914914692e-09 1.6012010686475574e-09 ] [ 5.542505760594241e-10 3.3442620608227426e-09 1.5734773246081482e-09 ] [ 6.5327162892129074e-09 3.3747349797484327e-09 6.8189185487448835e-09 ] [ 3.268888141729203e-09 1.7155735691892911e-09 -3.170664780569872e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -208.92666 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.347374128716624e-17 } }