{ "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" [ 10.6701701 0 0 ] "si-unit" "m" "si-value" [ 1.06701701e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6701701 0 ] "si-unit" "m" "si-value" [ 0.0 1.06701701e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6701701 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06701701e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.5592951 1.9794121 2.2696171 ] [ 4.786856100000001 2.2212181 0.01705 ] [ 0.1437485 3.4407191 1.1797641 ] [ 5.3925311 3.8378731 1.6815471 ] [ 2.2998621 1.9395301 5.324194100000001 ] [ 0.732897 0.3566806 4.7274141 ] [ 3.7197951 3.1867261 3.989981100000001 ] [ 4.2013841 0.1586136 7.4664321 ] [ 2.9084461 2.0645931 7.5867061 ] [ 0.6038844 3.5337741 5.5353541 ] [ 4.8702701 3.2787761 7.3412221 ] [ 3.8538651 4.6818861 5.7708931 ] [ 2.6460151 1.6115221 9.892104100000001 ] [ 2.0877551 3.9072891 10.3712801 ] [ 4.3947391 4.2249951 9.4168251 ] [ 0.8560414 7.288648100000001 2.2050211 ] [ 2.3117611 5.7574271 1.1775341 ] [ 4.594337100000001 6.0917371 1.3322041 ] [ 2.0619201 10.4149201 1.7177691 ] [ 4.5687061 7.433829100000001 3.2620921 ] [ 2.4502981 8.608763100000001 3.2225631 ] [ 4.8159631 10.7601101 3.2415071 ] [ 4.3761031 9.7722751 5.4178001 ] [ 0.7410177 7.1236831 5.4994591 ] [ 2.3232711 6.0661001 6.9438151 ] [ 1.9766151 9.1822371 5.541502100000001 ] [ 2.5505321 9.2943721 7.9840941 ] [ 1.9249821 7.0248011 9.9254501 ] [ 0.9806991 5.2597391 8.7116671 ] [ 4.0200641 7.4664971 7.8649491 ] [ 5.2317821 7.2608791 9.9773801 ] [ 3.0065501 9.9652601 10.2609701 ] [ 6.0954661 0.4184692 1.2389151 ] [ 9.8470151 1.5180311 2.2011311 ] [ 7.5221141 3.6788041 0.6291426999999999 ] [ 5.6199621 1.9093231 4.4538971 ] [ 9.6933551 1.7619481 5.4575951 ] [ 7.7867751 5.1230431 5.2396631 ] [ 8.6468401 3.1102601 3.8033081 ] [ 10.5189101 4.412778100000001 3.3683691 ] [ 6.6717541 1.9193681 6.5848851 ] [ 8.1455591 3.2721591 7.7920431 ] [ 10.3564401 2.5753501 7.5693381 ] [ 6.4255111 0.2784291 8.388679100000001 ] [ 7.7754071 1.8896471 9.6269621 ] [ 9.6213571 0.6473222 8.7374831 ] [ 7.6349061 7.0054151 1.6158971 ] [ 7.856842100000001 9.3634861 1.4108211 ] [ 10.7662301 8.1559701 0.1797261 ] [ 10.7064301 10.4591601 0.6209655 ] [ 5.5690371 5.9814211 4.8795761 ] [ 9.5052611 6.542518100000001 3.0084401 ] [ 6.159315100000001 8.9873381 4.0532111 ] [ 9.734138100000001 9.8536241 2.6557041 ] [ 5.7349191 7.9339821 6.2109331 ] [ 7.5031051 5.5021871 7.5420981 ] [ 8.9833401 7.2244821 5.2039371 ] [ 8.3490471 9.8787611 7.3967521 ] [ 10.0527201 8.2112591 7.1365131 ] [ 6.5796961 5.2517281 9.7027281 ] [ 9.4849571 6.3649191 8.5139271 ] [ 8.4927911 7.9724951 10.1767901 ] [ 8.7911961 5.6284261 10.7231901 ] [ 5.3296281 9.6713601 10.2021401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5592950999999999e-10 1.9794121e-10 2.2696171e-10 ] [ 4.786856100000001e-10 2.2212181000000003e-10 1.705e-12 ] [ 1.4374850000000001e-11 3.4407191e-10 1.1797641000000002e-10 ] [ 5.392531100000001e-10 3.8378731e-10 1.6815471e-10 ] [ 2.2998621e-10 1.9395301e-10 5.324194100000001e-10 ] [ 7.328970000000001e-11 3.566806e-11 4.7274141e-10 ] [ 3.7197951e-10 3.1867261e-10 3.9899811000000013e-10 ] [ 4.2013841000000006e-10 1.586136e-11 7.466432099999999e-10 ] [ 2.9084461e-10 2.0645931000000003e-10 7.586706100000001e-10 ] [ 6.038844e-11 3.5337741e-10 5.535354100000001e-10 ] [ 4.8702701e-10 3.2787761e-10 7.341222100000001e-10 ] [ 3.8538651e-10 4.6818861e-10 5.7708931e-10 ] [ 2.6460151e-10 1.6115221e-10 9.892104100000001e-10 ] [ 2.0877550999999998e-10 3.9072891e-10 1.03712801e-09 ] [ 4.3947391e-10 4.2249951000000003e-10 9.4168251e-10 ] [ 8.560413999999999e-11 7.288648100000001e-10 2.2050211000000003e-10 ] [ 2.3117611000000001e-10 5.7574271e-10 1.1775341e-10 ] [ 4.5943371000000007e-10 6.0917371e-10 1.3322041e-10 ] [ 2.0619201e-10 1.04149201e-09 1.7177691e-10 ] [ 4.5687061e-10 7.433829100000002e-10 3.2620921e-10 ] [ 2.4502981e-10 8.608763100000001e-10 3.2225631e-10 ] [ 4.815963100000001e-10 1.07601101e-09 3.2415071e-10 ] [ 4.3761031e-10 9.7722751e-10 5.4178001e-10 ] [ 7.410177000000001e-11 7.1236831e-10 5.4994591e-10 ] [ 2.3232711e-10 6.0661001e-10 6.9438151e-10 ] [ 1.9766151000000002e-10 9.1822371e-10 5.541502100000001e-10 ] [ 2.5505321e-10 9.2943721e-10 7.9840941e-10 ] [ 1.9249821000000002e-10 7.0248011e-10 9.925450100000002e-10 ] [ 9.806991e-11 5.2597391e-10 8.7116671e-10 ] [ 4.0200641e-10 7.466497100000001e-10 7.8649491e-10 ] [ 5.2317821e-10 7.2608791e-10 9.9773801e-10 ] [ 3.0065501000000003e-10 9.9652601e-10 1.02609701e-09 ] [ 6.0954661e-10 4.184692e-11 1.2389151e-10 ] [ 9.8470151e-10 1.5180311e-10 2.2011311e-10 ] [ 7.5221141e-10 3.6788041e-10 6.291427e-11 ] [ 5.619962100000001e-10 1.9093231e-10 4.4538971e-10 ] [ 9.6933551e-10 1.7619480999999999e-10 5.4575951e-10 ] [ 7.7867751e-10 5.1230431e-10 5.2396631e-10 ] [ 8.6468401e-10 3.1102601e-10 3.8033081e-10 ] [ 1.05189101e-09 4.4127781000000007e-10 3.3683691e-10 ] [ 6.671754100000001e-10 1.9193681000000002e-10 6.5848851e-10 ] [ 8.1455591e-10 3.2721591e-10 7.7920431e-10 ] [ 1.03564401e-09 2.5753501e-10 7.569338100000001e-10 ] [ 6.4255111e-10 2.784291e-11 8.388679100000001e-10 ] [ 7.7754071e-10 1.8896471e-10 9.6269621e-10 ] [ 9.6213571e-10 6.473222e-11 8.7374831e-10 ] [ 7.6349061e-10 7.005415099999999e-10 1.6158971e-10 ] [ 7.856842100000001e-10 9.3634861e-10 1.4108211e-10 ] [ 1.07662301e-09 8.1559701e-10 1.797261e-11 ] [ 1.0706430100000001e-09 1.04591601e-09 6.209655e-11 ] [ 5.5690371e-10 5.981421100000001e-10 4.8795761e-10 ] [ 9.5052611e-10 6.542518100000001e-10 3.0084401e-10 ] [ 6.159315100000001e-10 8.987338100000001e-10 4.0532111000000004e-10 ] [ 9.7341381e-10 9.8536241e-10 2.6557041e-10 ] [ 5.7349191e-10 7.9339821e-10 6.2109331e-10 ] [ 7.503105100000001e-10 5.5021871e-10 7.5420981e-10 ] [ 8.9833401e-10 7.2244821e-10 5.2039371e-10 ] [ 8.349047100000001e-10 9.878761100000002e-10 7.3967521e-10 ] [ 1.00527201e-09 8.2112591e-10 7.136513100000001e-10 ] [ 6.5796961e-10 5.251728100000001e-10 9.702728100000001e-10 ] [ 9.4849571e-10 6.3649191e-10 8.513927100000001e-10 ] [ 8.492791100000001e-10 7.9724951e-10 1.01767901e-09 ] [ 8.791196100000001e-10 5.6284261e-10 1.07231901e-09 ] [ 5.3296281e-10 9.6713601e-10 1.02021401e-09 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.4382991 -0.5424327 1.4409414 ] [ 0.8135553 -0.1415119 0.7871103 ] [ 0.0930766 1.3247884 -0.8998745 ] [ -1.1207844 0.1593261 1.429498 ] [ -0.3338869 0.8263785 -0.1917298 ] [ -1.2959301 -1.6642173 -1.9444415 ] [ 1.0091851 0.218466 -1.5634122 ] [ 0.6067173 0.546618 0.2020858 ] [ 0.3381889 -0.5261631 -0.3313465 ] [ 0.4062785 0.7969261 -0.2979693 ] [ -0.8560718 0.7746763 -0.1834214 ] [ 0.6961098 -0.0392188 -0.2327431 ] [ -0.0620098 0.1184474 0.0075479 ] [ -0.8434432 0.2209314 -0.0121768 ] [ 0.7951963 -0.2496882 0.502604 ] [ -0.1146738 -0.1123144 -0.2181469 ] [ 0.5132607 -0.4580739 0.0991748 ] [ -0.0545486 -0.0892973 -0.0065425 ] [ 1.600834 0.0446663 0.0376938 ] [ 0.0266006 -0.2869089 -0.822445 ] [ 0.3223521 0.2690757 0.7359079 ] [ 0.6078501 0.4931628 -0.2592327 ] [ -1.4529906 -0.0250336 0.2316645 ] [ 0.9987991 0.0508803 -0.1284749 ] [ 0.0534583 -0.7077052 -0.2374013 ] [ -0.3728191 -0.0485709 -0.3412348 ] [ -0.1618245 -0.6138375 0.2333254 ] [ -1.2361853 -0.0834178 0.7331743 ] [ -0.1201985 -0.0431569 -0.7249978 ] [ 0.9931081 0.1327403 -0.6861998 ] [ 0.2303504 -0.1456555 0.0779456 ] [ -0.0687829 0.379212 -0.6634629 ] [ -0.3468728 -0.2802017 0.0973788 ] [ -0.8179001 0.4735246 0.345727 ] [ 0.1154225 -1.1698177 -0.1312596 ] [ 0.1001702 0.3611966 -0.9983798 ] [ -0.9145708 -0.9091089 -0.097551 ] [ -0.2048077 0.0695872 -0.8758742 ] [ -0.603261 -0.1233419 0.7530172 ] [ -0.0522869 0.649051 -0.7136433 ] [ -0.661427 0.0023053 0.3368718 ] [ 0.1177663 0.0066565 -0.3937862 ] [ 0.1090655 0.5080842 0.3046842 ] [ -0.4579799 -0.7554938 0.2749352 ] [ -0.4547127 0.2582524 1.0008708 ] [ 1.3289117 -0.7600241 3.4840643 ] [ -0.315145 -0.1058555 0.7112833 ] [ -0.6868002 0.32828 -0.0003621 ] [ 0.1498296 0.8963375 -0.3885782 ] [ -1.1364134 1.1083326 -3.9361951 ] [ -0.2556421 0.1179925 0.2122724 ] [ -0.0716988 -0.4856262 1.0357675 ] [ 1.2246296 -0.5946451 -0.8735433 ] [ 0.6534285 0.648739 2.4947862 ] [ -0.1963054 -0.4033443 0.6000686 ] [ 0.6653644 -0.5364049 0.4414839 ] [ -0.0294548 -0.0560118 -0.7438917 ] [ 0.4786739 -0.1627157 0.0368366 ] [ -0.8020395 -0.1888356 0.3486306 ] [ -1.0265497 0.6654347 -0.1505282 ] [ 0.0584848 0.286296 -0.1532968 ] [ 0.1478082 0.4286299 -0.392083 ] [ 0.3164233 -0.709091 0.5971736 ] [ 0.1188187 -0.1472732 -0.0002996 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.3044092107232296e-09 -8.690729974575318e-10 2.3086426420432476e-09 ] [ 1.3034592921268601e-09 -2.267270596129446e-10 1.2610897310407302e-09 ] [ 1.4912515369216439e-10 2.1225450194742457e-09 -1.441757897432433e-09 ] [ -1.7956945774317096e-09 2.552685546063474e-10 2.2903082939497318e-09 ] [ -5.349457895786945e-10 1.324004323539969e-09 -3.071850056014932e-10 ] [ -2.0763089255172835e-09 -2.6663700719585683e-09 -3.115338737479911e-09 ] [ 1.6168927866009536e-09 3.50021120523444e-10 -2.5048624961505346e-09 ] [ 9.720682815035682e-10 8.757785873238121e-10 3.237771468231972e-10 ] [ 5.418383534581626e-10 -8.430062244930054e-10 -5.30875620057681e-10 ] [ 6.50929919596569e-10 1.2768163764447473e-09 -4.773994501093362e-10 ] [ -1.3715782349863214e-09 1.2411682667735743e-09 -2.938734812555676e-10 ] [ 1.1152908562584132e-09 -6.28354449735192e-11 -3.7289555654472544e-10 ] [ -9.935065263901319e-11 1.8977365663805158e-10 1.20930690157686e-11 ] [ -1.3513449871461887e-09 3.539711267969076e-10 -1.95093844368912e-11 ] [ 1.2740449313032542e-09 -4.000445998255188e-10 8.052603849549361e-10 ] [ -1.8372768289198922e-10 -1.7994750734172958e-10 -3.495098659595346e-10 ] [ 8.223343006904839e-10 -7.339152992252525e-10 1.588955472416232e-10 ] [ -8.739649233741241e-11 -1.430700475392882e-10 -1.0482240627945e-11 ] [ 2.564818829712756e-09 7.15633021872342e-11 6.03921256066692e-11 ] [ 4.26188597703804e-11 -4.5967873566664265e-10 -1.31770216175013e-09 ] [ 5.164650025408314e-10 4.3110679931719377e-10 1.1790544421560085e-09 ] [ 9.738832271945633e-10 7.901339149180152e-10 -4.153365747087318e-10 ] [ -2.32794758874164e-09 -4.01082489849024e-11 3.71167448827293e-10 ] [ 1.6002525800802295e-09 8.151922779091021e-11 -2.058394828354866e-10 ] [ 8.56496391533622e-11 -1.1338687352002968e-09 -3.803588157412242e-10 ] [ -5.973220507289094e-10 -7.78191610723506e-11 -5.467184232676632e-10 ] [ -2.5927143270873303e-10 -9.83476099572975e-10 3.738285039987036e-10 ] [ -1.98058720295428e-09 -1.336500500196852e-10 1.174674732109306e-09 ] [ -1.92579228141849e-10 -6.91449767758746e-11 -1.1615745348614053e-09 ] [ 1.5911345928561356e-09 2.126734070501502e-10 -1.0994132858154732e-09 ] [ 3.690620285125536e-10 -2.33365838713587e-10 1.248826190431104e-10 ] [ -1.1020235519875859e-10 6.07564605732408e-10 -1.0629847559058785e-09 ] [ -5.557514951301551e-10 -4.489326165470778e-10 1.560180380069592e-10 ] [ -1.3104204291662635e-09 7.586700497441964e-10 5.53915721142918e-10 ] [ 1.84927232537865e-10 -1.874254584979622e-09 -2.1030106410818642e-10 ] [ 1.604903538631068e-10 5.787007528002444e-10 -1.5995807874175932e-09 ] [ -1.4653039658986871e-09 -1.4565530373414425e-09 -1.56293932823334e-10 ] [ -3.281381114032818e-10 1.114909858654848e-10 -1.403305177563443e-09 ] [ -9.665306784034741e-10 -1.9761551017316462e-10 1.2064665628401048e-09 ] [ -8.37728494442946e-11 1.039894346474334e-09 -1.1433826202706522e-09 ] [ -1.059722884496718e-09 3.6934977943602005e-12 5.397281266135212e-10 ] [ 1.886824141326342e-10 1.0664888764221e-11 -6.309150484316508e-10 ] [ 1.74742195675527e-10 8.140406333445828e-10 4.881579059889828e-10 ] [ -7.337646946216566e-10 -1.2104345134918693e-09 4.4049475330411677e-10 ] [ -7.285300631230519e-10 4.1376596095442157e-10 1.6035718094128871e-09 ] [ 2.1291512743892175e-09 -1.2176928542968793e-09 5.582086412813566e-09 ] [ -5.0491795532193e-10 -1.6959920868038702e-10 1.1396014834144122e-09 ] [ -1.1003752326665269e-09 5.2596254540952e-10 -5.801481591714e-13 ] [ 2.400534842015664e-10 1.436090998677975e-09 -6.225709125217788e-10 ] [ -1.8207349960444954e-09 1.7757445944204684e-09 -6.306479816085293e-09 ] [ -4.0958379928669136e-10 1.89044826487245e-10 3.400978793231016e-10 ] [ -1.1487414204583918e-10 -7.780589504982109e-10 1.659482486756595e-09 ] [ 1.9620729304247664e-09 -9.527264847425934e-10 -1.3995706640472523e-09 ] [ 1.046907874689669e-09 1.039394467364526e-09 3.997088156465651e-09 ] [ -3.145159250080236e-10 -6.462288129170862e-10 9.614158897170923e-10 ] [ 1.0660312947754295e-09 -8.594153971431066e-10 7.073351888671925e-10 ] [ -4.71917923191432e-11 -8.97407971882812e-11 -1.191845899966538e-09 ] [ 7.669201378856526e-10 -2.606992925249538e-10 5.901873979600439e-11 ] [ -1.285008946445043e-09 -3.0254798598737037e-10 5.585678012174005e-10 ] [ -1.6447139429797097e-09 1.0661439277927998e-09 -2.411727647980788e-10 ] [ 9.370298000416321e-11 4.58696761607664e-10 -2.456085510269712e-10 ] [ 2.368148443535988e-10 6.867408104137566e-10 -6.28186221188622e-10 ] [ 5.069660177131723e-10 -1.136089031579694e-09 9.567775883616624e-10 ] [ 1.903685448222558e-10 -2.359576798544088e-10 -4.800121195464e-13 ] ] } "unrelaxed-potential-energy" { "source-value" -245.13932 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.927564905786488e-17 } }