{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.06701701e-09 0.0 0.0 ] "source-value" [ 10.6701701 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 1.06701701e-09 0.0 ] "source-value" [ 0 10.6701701 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 0.0 1.06701701e-09 ] "source-value" [ 0 0 10.6701701 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 3.833210449181917e-09 2.019024845728585e-09 7.782385480871367e-10 ] [ 8.915781244191495e-10 -1.6372433002817874e-09 2.9168125260769693e-09 ] [ -2.107795364015954e-09 1.3628168810529908e-09 -3.5883052557149955e-09 ] [ 3.066779141701767e-10 -7.7272978421184e-10 5.8907686039467156e-09 ] [ 5.740409775485145e-10 -6.987077823719214e-10 -6.763758435429005e-10 ] [ -3.2720456844817864e-09 -2.7838964342683875e-09 7.315963027377312e-10 ] [ 1.7987989400578177e-10 2.7997929102646406e-09 -4.883128644899151e-09 ] [ 1.2109090682344319e-09 -2.7604910371034306e-10 -8.91394995631392e-11 ] [ -4.867553885968354e-09 8.775236708838297e-10 3.6945888462090047e-10 ] [ 8.500290383296051e-10 4.906938111007874e-09 5.316002801694951e-10 ] [ 1.6348187264015311e-09 1.740342404524295e-09 -1.327597193703917e-09 ] [ -1.1308428550925454e-09 1.9874167849181184e-09 -2.3505893693496484e-09 ] [ -4.407803376576298e-09 -6.391169057908724e-10 7.007045750944243e-10 ] [ -1.9127918840157928e-09 -1.5049951559064174e-09 3.5951385390027076e-10 ] [ -1.1207438551986566e-09 2.4384958337854196e-09 -3.097270164972211e-10 ] [ 6.53213496571319e-10 -1.400324316398905e-09 2.745972433001065e-09 ] [ 6.345830663893326e-10 -2.189265404312986e-09 4.297106750797957e-09 ] [ 7.74930694235833e-10 2.4288084330654145e-10 2.55318011695527e-09 ] [ 3.0257373047303675e-09 2.736671477281997e-10 8.161987585460889e-10 ] [ -1.3301622784738178e-10 -1.7101099725604475e-09 -1.257732679977312e-09 ] [ 1.1213783171404934e-09 -1.33561833073829e-09 3.345521023658688e-10 ] [ 5.154649196390803e-10 1.7226825729391892e-09 -2.544372952070732e-09 ] [ 9.545380579984166e-10 8.855158085213665e-10 -5.013177000774163e-10 ] [ 2.52651236775504e-10 -2.0975854934999058e-09 -2.0208939449744105e-09 ] [ -6.472691008728269e-10 -1.0790489710366195e-09 -1.931012958071165e-09 ] [ -2.42480651630198e-09 -4.1556167710208263e-10 9.820064148560603e-10 ] [ -5.713109807390348e-09 2.2431946693691136e-10 6.398000739019815e-10 ] [ 1.4037353504245882e-09 1.965860780226551e-09 -1.296032551879874e-09 ] [ -2.0598292401247813e-09 -3.285581833880277e-09 -1.7185178750310816e-09 ] [ 1.8090400530179712e-09 -1.425313945806509e-09 -3.0805338279913344e-10 ] [ 6.50141322900935e-10 1.7201937517764384e-09 2.0925003451231486e-10 ] [ -9.648341256166637e-10 -1.5742385057571378e-09 1.0093220842817414e-09 ] [ 2.7496356496268624e-09 1.8610537557062708e-09 2.962546177064719e-09 ] [ -5.856133070193585e-09 1.681301715394829e-10 -2.992236272242426e-10 ] [ 2.310983082630486e-09 -3.1390752788857595e-09 4.629658856088081e-09 ] [ 4.539532415726529e-09 6.451846690891662e-10 -2.8417455846449643e-09 ] [ -4.571216740144145e-09 -4.848194946076891e-09 -1.6301458180693055e-10 ] [ -3.976775407900647e-10 -1.3411536907454917e-09 -2.645011433459015e-09 ] [ -6.020959393323316e-09 -1.4389678551866286e-09 -1.762979397781916e-09 ] [ 2.3791629076403195e-09 1.7712334912969538e-09 6.636105013166764e-10 ] [ 2.7241249923821743e-09 -2.22104585932785e-09 -4.547581751069428e-09 ] [ 1.9694059164353956e-09 8.18241693955271e-10 -6.643869161071161e-10 ] [ 2.978237894888834e-09 1.5939174003197761e-10 3.352143460503103e-09 ] [ 1.6857935777689037e-09 -2.864847529557942e-09 8.952386173446913e-11 ] [ 1.91010263055778e-09 -1.4158902633582874e-09 4.24718917578265e-09 ] [ 3.941429469033854e-09 -2.2350226072970615e-09 1.2722277320833516e-09 ] [ -4.186894463012083e-09 -8.815326372243955e-10 4.419796469671296e-09 ] [ -2.3622381546888362e-09 3.327102881878958e-09 1.7041160696043725e-09 ] [ 1.1980339769096832e-10 1.112675614171632e-09 -2.5791281684174363e-09 ] [ -2.0255549971996415e-09 2.827831321563965e-09 -5.307932638055981e-09 ] [ 6.744453809324986e-10 -2.05190679717025e-09 -2.5205405748363322e-09 ] [ -1.6396114775449921e-09 -8.686793355016896e-11 1.3580622617131048e-09 ] [ 7.480452092328365e-09 1.239564157315102e-09 -1.0909121276076711e-09 ] [ -3.0966081455924967e-09 -7.601369964076762e-10 6.2689208989120765e-09 ] [ 4.633207036432504e-09 4.5810235030224e-11 2.296040382376595e-09 ] [ -1.2044005461477563e-09 3.0161396259011274e-09 -2.1728664857284497e-09 ] [ -2.3550512710209143e-09 3.7055225801223302e-09 -8.017916659365313e-11 ] [ -1.8177142372429825e-10 -1.8175810963657942e-09 -3.7825709333812785e-09 ] [ 1.8478768143061633e-10 3.934306512213101e-09 4.012080971916595e-10 ] [ -7.760253013031635e-10 8.238483508220986e-10 -4.945637245324339e-10 ] [ 1.0634940790959205e-09 9.78465284088768e-12 -2.4227299351837613e-09 ] [ -2.3655927920974675e-09 4.362851107126512e-09 -4.040473624466778e-09 ] [ 3.303720876492665e-09 -3.5091586919534483e-09 1.619242044858789e-09 ] [ 1.877300307294169e-09 -1.5593759143342868e-09 1.068269046078891e-09 ] ] "source-value" [ [ 2.3925018 1.2601762 0.4857383 ] [ 0.5564793 -1.0218869 1.8205312 ] [ -1.3155824 0.8506034 -2.239644 ] [ 0.1914133 -0.4823 3.6767286 ] [ 0.3582882 -0.4360991 -0.4221606 ] [ -2.0422503 -1.7375715 0.4566265 ] [ 0.1122722 1.7474933 -3.0478092 ] [ 0.75579 -0.1722963 -0.0556365 ] [ -3.0380882 0.5477072 0.2305981 ] [ 0.5305464 3.0626699 0.3317988 ] [ 1.0203736 1.0862363 -0.828621 ] [ -0.7058166 1.240448 -1.4671225 ] [ -2.7511345 -0.3989054 0.4373454 ] [ -1.1938708 -0.9393441 0.2243909 ] [ -0.6995133 1.5219894 -0.1933164 ] [ 0.4077038 -0.8740137 1.7139012 ] [ 0.3960756 -1.366432 2.6820431 ] [ 0.4836737 0.1515943 1.5935697 ] [ 1.8885167 0.1708096 0.5094312 ] [ -0.0830222 -1.0673667 -0.785015 ] [ 0.6999093 -0.8336274 0.208811 ] [ 0.3217279 1.0752139 -1.5880727 ] [ 0.5957758 0.5526955 -0.3128979 ] [ 0.1576925 -1.3092099 -1.2613428 ] [ -0.4039936 -0.6734894 -1.2052435 ] [ -1.5134452 -0.2593732 0.6129202 ] [ -3.5658427 0.1400092 0.3993318 ] [ 0.8761427 1.2269938 -0.8089199 ] [ -1.2856443 -2.0506989 -1.0726145 ] [ 1.129114 -0.889611 -0.1922718 ] [ 0.4057863 1.0736605 0.1306036 ] [ -0.6022021 -0.9825624 0.6299693 ] [ 1.7161876 1.1615784 1.8490759 ] [ -3.6551108 0.1049386 -0.1867607 ] [ 1.4424022 -1.9592567 2.8896058 ] [ 2.8333533 0.4026926 -1.7736781 ] [ -2.8531291 -3.0260053 -0.1017457 ] [ -0.2482108 -0.8370823 -1.6508863 ] [ -3.7579873 -0.8981331 -1.1003652 ] [ 1.4849567 1.105517 0.4141931 ] [ 1.7002651 -1.3862678 -2.8383773 ] [ 1.2292065 0.5107063 -0.4146777 ] [ 1.8588699 0.0994845 2.0922434 ] [ 1.0521896 -1.7880972 0.0558764 ] [ 1.1921923 -0.8837292 2.650887 ] [ 2.4600468 -1.3949914 0.7940621 ] [ -2.613254 -0.5502094 2.75862 ] [ -1.4743931 2.0766143 1.0636256 ] [ 0.0747754 0.6944775 -1.6097652 ] [ -1.264252 1.7649935 -3.312951 ] [ 0.4209557 -1.2806995 -1.5731977 ] [ -1.023365 -0.0542187 0.8476358 ] [ 4.668931 0.7736751 -0.6808938 ] [ -1.9327508 -0.4744402 3.9127527 ] [ 2.8918204 0.0285925 1.4330757 ] [ -0.7517277 1.8825263 -1.3561966 ] [ -1.4699074 2.3128053 -0.0500439 ] [ -0.1134528 -1.1344449 -2.3608951 ] [ 0.1153354 2.455601 0.2504144 ] [ -0.4843569 0.5142057 -0.3086824 ] [ 0.6637808 0.0061071 -1.5121491 ] [ -1.4764869 2.7230775 -2.5218653 ] [ 2.0620204 -2.1902446 1.0106514 ] [ 1.1717187 -0.9732859 0.6667611 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 2.082507889974543e-16 "source-value" 1299.7992 } }