{ "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" [ 10.7298088 0 0 ] "si-unit" "m" "si-value" [ 1.07298088e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7298088 0 ] "si-unit" "m" "si-value" [ 0.0 1.07298088e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7298088 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07298088e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.66844886353 0.1419294 1.7363018 ] [ 3.93309853019 0.2112753 2.4546448 ] [ 5.23191968046 1.6786048 1.2144198 ] [ 2.24762363875 3.3413878 1.9420518 ] [ 0.5654290424439999 4.8578508 1.3851828 ] [ 3.47285206024 2.6977448 0.0406933 ] [ 1.02754628021 1.8214628 3.2540678 ] [ 2.98773026009 1.1381618 4.4606488 ] [ 3.64736040146 4.2978338 3.5620408 ] [ 2.03266521177 3.9271768 7.3195088 ] [ 3.51499203997 3.1477048 5.5846608 ] [ 2.0529340919 2.1088718 8.953426799999999 ] [ 0.09468003781499999 0.7732303 9.3045738 ] [ 3.26496274913 0.1784914 8.3028798 ] [ 4.866962543410001 4.5477878 10.3401388 ] [ 0.96618666239 7.2319208 1.5858908 ] [ 3.11311239598 7.886324800000001 2.4479458 ] [ 2.80630500907 8.005689799999999 0.0661633 ] [ 2.53403652737 6.2517798 4.0143838 ] [ 1.31753357864 9.1284358 3.2458628 ] [ 2.82556884401 9.5761878 5.1023788 ] [ 0.805837196418 7.800345800000001 7.2972508 ] [ 1.40540525031 5.8901958 6.0241268 ] [ 1.46919277677 10.0479188 6.8670698 ] [ 5.04755129386 9.9102298 5.8763438 ] [ 1.65366321808 5.942502800000001 10.3128588 ] [ 4.849570039 7.6443448 8.095805799999999 ] [ 5.02640388828 5.3074078 8.1344028 ] [ 1.21795252111 9.761775799999999 10.4371188 ] [ 4.52170145387 9.405146799999999 9.725752799999999 ] [ 8.120157917139998 0.09181689999999999 2.0262558 ] [ 9.530906758599999 1.2997398 0.4588587 ] [ 8.1197591932 4.2470558 1.0041018 ] [ 6.85065067175 2.9696278 2.4821318 ] [ 5.52208376879 0.6750212 4.2143298 ] [ 8.003722656879999 0.3413853 4.3873688 ] [ 7.97167389822 2.6655358 4.546196800000001 ] [ 5.88309656882 4.933828800000001 3.2544528 ] [ 10.075758853 3.4435188 3.7346038 ] [ 5.79780762041 2.5317518 5.688219800000001 ] [ 5.33231242 0.9520477999999999 7.3822398 ] [ 7.50798165249 0.09776239999999999 7.7495218 ] [ 9.581986278999999 1.1555148 7.301165800000001 ] [ 7.32137645539 4.693563800000001 7.971604800000001 ] [ 10.4785787766 3.3727618 7.0236418 ] [ 10.0067350138 5.067158800000001 5.4223188 ] [ 7.61077272993 1.1951028 9.8150078 ] [ 6.90445098869 3.4603578 9.9187028 ] [ 9.574854401309999 4.7713658 8.691779799999999 ] [ 10.0304833343 3.5524598 10.6413488 ] [ 7.63875994089 6.4815268 0.5844848 ] [ 6.74890386924 7.942141800000001 2.2596058 ] [ 5.46834733884 6.118640800000001 1.3014128 ] [ 6.32359778221 10.4976388 0.4016222 ] [ 8.999245194179998 8.6892228 2.4033408 ] [ 10.1068303358 8.4516458 0.2717152 ] [ 7.09092271404 6.7413008 4.2549348 ] [ 9.422659970529999 7.0366368 4.1416958 ] [ 6.263411171710001 7.952387799999999 6.195621800000001 ] [ 7.92617942902 8.4820248 7.7524188 ] [ 9.597402640579999 8.374361799999999 6.0845518 ] [ 10.2373680415 10.5670388 5.4768888 ] [ 6.82096550777 6.7481858 9.084289799999999 ] [ 10.5255801977 6.8837118 9.2465418 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.66844886353e-10 1.4192940000000002e-11 1.7363018e-10 ] [ 3.93309853019e-10 2.112753e-11 2.4546448e-10 ] [ 5.23191968046e-10 1.6786048e-10 1.2144198e-10 ] [ 2.24762363875e-10 3.3413878000000004e-10 1.9420518e-10 ] [ 5.6542904244399994e-11 4.857850799999999e-10 1.3851828e-10 ] [ 3.47285206024e-10 2.6977448000000004e-10 4.06933e-12 ] [ 1.02754628021e-10 1.8214628e-10 3.2540678e-10 ] [ 2.9877302600900006e-10 1.1381618e-10 4.4606488000000003e-10 ] [ 3.64736040146e-10 4.2978338000000005e-10 3.5620408000000005e-10 ] [ 2.03266521177e-10 3.9271768e-10 7.3195088e-10 ] [ 3.5149920399700003e-10 3.1477048e-10 5.5846608e-10 ] [ 2.0529340919000002e-10 2.1088718000000003e-10 8.9534268e-10 ] [ 9.468003781499999e-12 7.732303e-11 9.3045738e-10 ] [ 3.26496274913e-10 1.784914e-11 8.302879799999999e-10 ] [ 4.86696254341e-10 4.5477878e-10 1.03401388e-09 ] [ 9.6618666239e-11 7.2319208e-10 1.5858908e-10 ] [ 3.11311239598e-10 7.886324800000001e-10 2.4479457999999997e-10 ] [ 2.80630500907e-10 8.0056898e-10 6.61633e-12 ] [ 2.53403652737e-10 6.251779800000001e-10 4.0143838000000003e-10 ] [ 1.31753357864e-10 9.1284358e-10 3.2458628e-10 ] [ 2.8255688440100004e-10 9.5761878e-10 5.102378800000001e-10 ] [ 8.05837196418e-11 7.800345800000002e-10 7.2972508e-10 ] [ 1.4054052503100001e-10 5.8901958e-10 6.0241268e-10 ] [ 1.4691927767699999e-10 1.0047918800000001e-09 6.867069800000001e-10 ] [ 5.04755129386e-10 9.9102298e-10 5.8763438e-10 ] [ 1.65366321808e-10 5.942502800000001e-10 1.0312858800000001e-09 ] [ 4.849570039e-10 7.6443448e-10 8.095805799999999e-10 ] [ 5.026403888280001e-10 5.3074078e-10 8.1344028e-10 ] [ 1.21795252111e-10 9.7617758e-10 1.04371188e-09 ] [ 4.5217014538700004e-10 9.405146799999998e-10 9.725752799999998e-10 ] [ 8.120157917139998e-10 9.181689999999999e-12 2.0262558e-10 ] [ 9.5309067586e-10 1.2997398000000001e-10 4.588587e-11 ] [ 8.119759193200001e-10 4.2470558000000003e-10 1.0041017999999999e-10 ] [ 6.850650671750001e-10 2.9696278e-10 2.4821318e-10 ] [ 5.52208376879e-10 6.750212e-11 4.2143298e-10 ] [ 8.00372265688e-10 3.413853e-11 4.3873688000000004e-10 ] [ 7.97167389822e-10 2.6655358e-10 4.5461968000000005e-10 ] [ 5.88309656882e-10 4.933828800000001e-10 3.2544528e-10 ] [ 1.0075758853000001e-09 3.4435188e-10 3.7346038e-10 ] [ 5.79780762041e-10 2.5317518e-10 5.6882198e-10 ] [ 5.332312420000001e-10 9.520478e-11 7.3822398e-10 ] [ 7.50798165249e-10 9.776239999999998e-12 7.749521800000001e-10 ] [ 9.581986279e-10 1.1555148e-10 7.301165800000001e-10 ] [ 7.321376455390001e-10 4.693563800000001e-10 7.971604800000001e-10 ] [ 1.04785787766e-09 3.3727618000000004e-10 7.023641800000001e-10 ] [ 1.00067350138e-09 5.067158800000001e-10 5.4223188e-10 ] [ 7.61077272993e-10 1.1951028e-10 9.815007800000001e-10 ] [ 6.90445098869e-10 3.4603578000000005e-10 9.9187028e-10 ] [ 9.574854401309999e-10 4.7713658e-10 8.6917798e-10 ] [ 1.00304833343e-09 3.5524598e-10 1.06413488e-09 ] [ 7.63875994089e-10 6.4815268e-10 5.844848e-11 ] [ 6.748903869240001e-10 7.942141800000001e-10 2.2596058e-10 ] [ 5.46834733884e-10 6.118640800000002e-10 1.3014128000000002e-10 ] [ 6.323597782210001e-10 1.04976388e-09 4.016222e-11 ] [ 8.999245194179999e-10 8.6892228e-10 2.4033408e-10 ] [ 1.01068303358e-09 8.4516458e-10 2.717152e-11 ] [ 7.090922714040001e-10 6.741300800000001e-10 4.2549348000000004e-10 ] [ 9.42265997053e-10 7.036636800000001e-10 4.1416958e-10 ] [ 6.263411171710002e-10 7.952387799999999e-10 6.195621800000002e-10 ] [ 7.92617942902e-10 8.4820248e-10 7.7524188e-10 ] [ 9.59740264058e-10 8.374361799999999e-10 6.0845518e-10 ] [ 1.0237368041500001e-09 1.0567038800000002e-09 5.476888800000001e-10 ] [ 6.820965507770001e-10 6.7481858e-10 9.084289799999999e-10 ] [ 1.05255801977e-09 6.883711800000001e-10 9.246541799999999e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9360015 -1.9541558 -0.1610035 ] [ 0.7523444 -2.302818 -2.3858621 ] [ -0.0109147 -1.5797665 -0.5003883 ] [ -0.3460984 1.0082103 0.3913448 ] [ -0.119698 -4.1184331 2.6824802 ] [ -0.747532 1.429535 1.0968564 ] [ 1.5096801 -0.9933306 0.7315466 ] [ -3.5551895 -0.2586795 0.9347828 ] [ -0.8585042 0.8288726 1.0915877 ] [ 0.7500427 -0.0544573 0.6449328 ] [ 0.5734164 0.8612302 -1.2537365 ] [ -0.252603 -0.5210302 1.3279916 ] [ 0.7398293 0.5561829 -1.9336385 ] [ -1.0415992 0.4218175 0.8469401 ] [ -1.7008006 -0.8868851 -1.5321396 ] [ -6.6843907 -0.3848736 2.1177692 ] [ 5.6853838 4.0936398 -0.718585 ] [ 3.1845446 -0.119911 -1.6857006 ] [ 0.8640714 -2.6505054 -0.0691036 ] [ -2.6672703 4.0167913 0.949472 ] [ -0.6907978 0.2381758 1.8266075 ] [ -0.5017763 -0.6051855 0.1635255 ] [ -2.1041864 1.1328252 1.5169741 ] [ 1.0474863 -1.1454923 0.6991382 ] [ -0.2686735 0.4882467 -0.577278 ] [ 1.7794026 -1.8442821 -5.2446892 ] [ -2.2968262 0.9354935 -1.5095691 ] [ -6.6606755 -4.8336453 -1.0230448 ] [ 0.7718278 -1.2460702 0.0765695 ] [ -0.2300056 -0.0332974 -0.0996829 ] [ 0.2340519 0.4094121 1.2407032 ] [ 1.4254576 0.1065983 -0.5646794 ] [ 0.731572 0.067528 -1.1059389 ] [ 0.388565 0.3523651 0.797791 ] [ 3.3600094 -0.4506278 1.903083 ] [ -0.0580297 0.8325802 -0.1206333 ] [ 0.8569201 -2.0763479 -0.3867258 ] [ -1.467226 -1.3648584 -1.5109804 ] [ -1.235472 3.7497024 -2.244633 ] [ -2.4538362 1.5255271 2.6272559 ] [ 1.4061594 -0.0620418 -0.7481586 ] [ 0.0241302 -0.2297098 0.7860992 ] [ 0.0565604 -0.9200368 -1.0278455 ] [ 2.0889424 -1.7339942 -1.5792713 ] [ 0.2474237 1.0970124 1.8414641 ] [ 1.2921045 -0.9100224 -0.4213589 ] [ -0.2015558 -1.2282494 0.7160256 ] [ 0.2893002 0.4129186 0.3985469 ] [ 1.2986055 -1.371259 0.6011131 ] [ -0.0530028 1.9382132 0.7288296 ] [ 2.5150248 0.0749145 -2.4482202 ] [ -0.5305601 5.5197086 2.924745 ] [ -4.7671996 -2.950685 0.4550195 ] [ -0.5539136 0.4857419 0.2756105 ] [ 0.430301 1.5500965 -2.2287294 ] [ 0.1579066 -0.2220468 0.3842492 ] [ 0.4255969 0.399052 0.1064054 ] [ 0.2700961 0.9348459 1.1137431 ] [ 0.1115424 1.4800191 0.7451969 ] [ 0.1187519 0.212017 -0.4632062 ] [ 1.4813172 -0.0570667 -0.0291095 ] [ 0.3070513 0.0199555 -0.8294003 ] [ 5.5811637 2.822699 1.2788634 ] [ 0.2377556 -0.8921628 -1.6199514 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.499639732688951e-09 -3.1309027619555773e-09 -2.57956045692219e-10 ] [ 1.2053886184007496e-09 -3.6895211919546117e-09 -3.8225725085661715e-09 ] [ -1.74872773071198e-11 -2.531064973475961e-09 -8.017104421869822e-10 ] [ -5.545107695447856e-10 1.6153309848181303e-09 6.270034943974032e-10 ] [ -1.91777338736532e-10 -6.598457281512185e-09 4.297807097607647e-09 ] [ -1.197678303567288e-09 2.29036757448519e-09 1.7573576949333578e-09 ] [ 2.4187741810347834e-09 -1.5914910771572004e-09 1.1720668692021446e-09 ] [ -5.696041546342143e-09 -4.14450250594803e-10 1.4976871600250952e-09 ] [ -1.3754753694308629e-09 1.3280003122828283e-09 1.748916306901802e-09 ] [ 1.2017008884422718e-09 -8.72502136107282e-11 1.033296262660195e-09 ] [ 9.187143576323976e-10 1.3798429029351468e-09 -2.008707325492941e-09 ] [ -4.0471462427830205e-10 -8.347824120483468e-10 2.1276771116682744e-09 ] [ 1.1853372176085762e-09 8.911032466103587e-10 -3.098030423302809e-09 ] [ -1.668825900233093e-09 6.75826142312295e-10 1.3569476386176234e-09 ] [ -2.7249829804131803e-09 -1.4209465842627533e-09 -2.4547582671461064e-09 ] [ -1.0709574592066904e-08 -6.166354889634624e-10 3.393040328444873e-09 ] [ 9.10898907968213e-09 6.558734035572433e-09 -1.15130009654289e-09 ] [ 5.102202948050876e-09 -1.92118602359574e-10 -2.7007901132397807e-09 ] [ 1.3843950071876676e-09 -4.246577820170824e-09 -1.1071617324528241e-10 ] [ -4.2734381512221704e-09 6.4356091645144844e-09 1.521221853037248e-09 ] [ -1.1067800939786053e-09 3.815997015442572e-10 2.926547855989155e-09 ] [ -8.039342633549741e-10 -9.69614067335607e-10 2.6199673516316697e-10 ] [ -3.371278283660578e-09 1.8149860658463769e-09 2.4304604574031797e-09 ] [ 1.6782580742951143e-09 -1.835280997486918e-09 1.1201428879768189e-09 ] [ -4.30462403874999e-10 7.822574543676078e-10 -9.24901322922252e-10 ] [ 2.8509172681988485e-09 -2.9548656871244515e-09 -8.402918488832153e-09 ] [ -3.6799212699990106e-09 1.4988258269588789e-09 -2.4185963394284092e-09 ] [ -1.0671578652756267e-08 -7.744353556703919e-09 -1.6390984740952034e-09 ] [ 1.2366044666316251e-09 -1.9964245587637067e-09 1.22677863777063e-10 ] [ -3.685095980091504e-10 -5.33483162529516e-11 -1.597096131893586e-10 ] [ 3.749924853233046e-10 6.559505002968714e-10 1.9878256767690287e-09 ] [ 2.2838348594777187e-09 1.707893054841222e-10 -9.047161403811397e-10 ] [ 1.172107564488648e-09 1.08191783740752e-10 -1.7719094642116625e-09 ] [ 6.2254976379021e-10 5.645511298570734e-10 1.278202099015494e-09 ] [ 5.3833285507003596e-09 -7.219853317908252e-10 3.0490751151626223e-09 ] [ -9.29738294180298e-11 1.3339405423710468e-09 -1.932758545423122e-10 ] [ 1.3729373614249433e-09 -3.3266760894349687e-09 -6.196030405249573e-10 ] [ -2.350755213997284e-09 -2.1867442371986256e-09 -2.4208574913119734e-09 ] [ -1.9794443703612477e-09 6.007685569733722e-09 -3.5962985445053217e-09 ] [ -3.931479023303351e-09 2.4441638741537814e-09 4.209328014518641e-09 ] [ 2.2529157343594597e-09 -9.94019222913012e-11 -1.1986822274461525e-09 ] [ 3.86608426137468e-11 -3.680356741608132e-10 1.2594697702460929e-09 ] [ 9.061975128969359e-11 -1.4740614633801312e-09 -1.646790043462047e-09 ] [ 3.3468547030518818e-09 -2.7781649907315225e-09 -2.5302715756068043e-09 ] [ 3.964164708378258e-10 1.7576076344882618e-09 2.9503507533698396e-09 ] [ 2.070179638586253e-09 -1.4580166256966015e-09 -6.750913841079425e-10 ] [ -3.229279932071772e-10 -1.9678724894045196e-09 1.1471994856658306e-09 ] [ 4.635100206515268e-10 6.615685326639924e-10 6.385425307331346e-10 ] [ 2.0805953888838872e-09 -2.196999128962206e-09 9.630893632113053e-10 ] [ -8.49198476965752e-11 3.105359900750369e-09 1.1677137552875664e-09 ] [ 4.029513968490523e-09 1.20026261447793e-10 -3.922481199326807e-09 ] [ -8.500509951527034e-10 8.843548145408853e-09 4.6859580994083306e-09 ] [ -7.637895808734146e-09 -4.72751856129429e-09 7.29021610914363e-10 ] [ -8.874674271748224e-10 7.782443223347646e-10 4.4157670318505695e-10 ] [ 6.89418207786834e-10 2.483528392745181e-09 -3.57081816818884e-09 ] [ 2.529942648743844e-10 -3.5575819461447117e-10 6.156350898731928e-10 ] [ 6.818814086828346e-10 6.39351790150968e-10 1.704802456114236e-10 ] [ 4.327416603545274e-10 1.4977882573707007e-09 1.7844131710987253e-09 ] [ 1.787106269802816e-10 2.3712520198937093e-09 1.1939370609092347e-09 ] [ 1.902615194231046e-10 3.3968868341077804e-10 -7.421381503639308e-10 ] [ 2.3733318053823045e-09 -9.14309333194878e-11 -4.6638560727423e-11 ] [ 4.919504182993243e-10 3.1972235819787e-11 -1.3288457808925902e-09 ] [ 8.942010070668986e-09 4.522462382615166e-09 2.0489650575577957e-09 ] [ 3.809264669226504e-10 -1.4294023918840152e-09 -2.5954482812955873e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -242.39966 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.883670713415444e-17 } }