{ "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" [ 10.8883 0 0 ] "si-unit" "m" "si-value" [ 1.08883e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.08893 9.25118 0 ] "si-unit" "m" "si-value" [ -5.08893e-10 9.25118e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.000292429 -0.0106915 10.0599 ] "si-unit" "m" "si-value" [ 2.92429e-14 -1.06915e-12 1.00599e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0165546 0.0046381 0.128623 ] [ -0.0234788 -0.0452155 2.54548 ] [ -0.00488727 -0.0046248 5.13702 ] [ -0.0447334 -0.306647 7.45196 ] [ -1.26306 2.30575 0.363968 ] [ -1.39208 2.33654 2.5263 ] [ -1.17537 2.25364 4.90735 ] [ -1.46062 2.40803 7.6638 ] [ -2.65707 4.84171 -0.172878 ] [ -2.69521 4.91401 2.73911 ] [ -2.71562 4.80584 5.08926 ] [ -2.41811 4.7596 7.57071 ] [ -3.78692 6.96269 -0.124184 ] [ -3.67368 6.79821 2.28555 ] [ -3.63384 6.77872 5.17021 ] [ -3.90874 6.88934 7.63294 ] [ 2.22908 0.0767241 0.0508547 ] [ 2.66227 -0.0303766 2.20661 ] [ 2.68937 -0.14877 5.17388 ] [ 2.69311 0.141266 7.96758 ] [ 1.48301 2.08354 -0.377774 ] [ 1.28213 2.1725 2.62382 ] [ 1.22126 2.22618 5.08282 ] [ 1.21936 2.44469 7.82317 ] [ 0.113886 4.55562 -0.179321 ] [ 0.0810082 4.45019 2.6631 ] [ 0.179801 4.81405 5.52672 ] [ 0.094404 4.56508 7.94684 ] [ -1.18564 6.74928 0.170597 ] [ -1.09246 6.89596 2.51272 ] [ -1.03539 6.71682 5.11403 ] [ -1.20238 6.93517 7.66034 ] [ 5.60211 -0.0612136 0.339346 ] [ 5.09974 -0.103113 2.43936 ] [ 5.14881 -0.0708218 5.59289 ] [ 5.38392 -0.436684 7.94408 ] [ 4.14454 2.22131 0.192156 ] [ 4.3364 2.25585 2.61036 ] [ 4.00854 2.31149 4.79378 ] [ 4.15702 2.19838 8.05353 ] [ 2.53922 4.31267 -0.130544 ] [ 2.70029 4.51493 2.3599 ] [ 2.72561 4.39358 4.81989 ] [ 2.34967 4.56726 7.95271 ] [ 1.36939 6.77949 0.133615 ] [ 1.51397 6.80918 2.22211 ] [ 1.61838 7.05731 5.27317 ] [ 1.40236 6.74712 8.09255 ] [ 7.86412 -0.181995 -0.31195 ] [ 7.87067 -0.599447 2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6554599999999999e-12 4.6381e-13 1.28623e-11 ] [ -2.3478800000000003e-12 -4.52155e-12 2.54548e-10 ] [ -4.887270000000001e-13 -4.624800000000001e-13 5.13702e-10 ] [ -4.47334e-12 -3.06647e-11 7.45196e-10 ] [ -1.2630600000000002e-10 2.3057500000000003e-10 3.6396800000000006e-11 ] [ -1.39208e-10 2.33654e-10 2.5263e-10 ] [ -1.1753700000000002e-10 2.25364e-10 4.907350000000001e-10 ] [ -1.46062e-10 2.40803e-10 7.6638e-10 ] [ -2.6570700000000003e-10 4.84171e-10 -1.7287800000000002e-11 ] [ -2.6952099999999997e-10 4.914010000000001e-10 2.7391100000000005e-10 ] [ -2.71562e-10 4.80584e-10 5.089260000000001e-10 ] [ -2.41811e-10 4.7596e-10 7.570710000000001e-10 ] [ -3.78692e-10 6.96269e-10 -1.2418400000000001e-11 ] [ -3.6736800000000003e-10 6.79821e-10 2.2855500000000002e-10 ] [ -3.63384e-10 6.77872e-10 5.17021e-10 ] [ -3.90874e-10 6.889340000000001e-10 7.63294e-10 ] [ 2.2290800000000002e-10 7.672410000000001e-12 5.08547e-12 ] [ 2.66227e-10 -3.0376600000000002e-12 2.20661e-10 ] [ 2.68937e-10 -1.4877e-11 5.17388e-10 ] [ 2.69311e-10 1.4126600000000001e-11 7.96758e-10 ] [ 1.48301e-10 2.0835400000000002e-10 -3.77774e-11 ] [ 1.2821300000000002e-10 2.1725e-10 2.62382e-10 ] [ 1.2212600000000001e-10 2.2261799999999999e-10 5.08282e-10 ] [ 1.21936e-10 2.4446900000000003e-10 7.82317e-10 ] [ 1.13886e-11 4.5556200000000004e-10 -1.79321e-11 ] [ 8.10082e-12 4.45019e-10 2.6631000000000003e-10 ] [ 1.79801e-11 4.814050000000001e-10 5.52672e-10 ] [ 9.4404e-12 4.5650800000000004e-10 7.94684e-10 ] [ -1.18564e-10 6.749279999999999e-10 1.7059700000000002e-11 ] [ -1.09246e-10 6.895959999999999e-10 2.51272e-10 ] [ -1.03539e-10 6.71682e-10 5.114029999999999e-10 ] [ -1.20238e-10 6.935170000000001e-10 7.66034e-10 ] [ 5.60211e-10 -6.1213600000000005e-12 3.39346e-11 ] [ 5.09974e-10 -1.03113e-11 2.43936e-10 ] [ 5.14881e-10 -7.0821800000000004e-12 5.59289e-10 ] [ 5.38392e-10 -4.3668400000000003e-11 7.94408e-10 ] [ 4.1445400000000004e-10 2.22131e-10 1.92156e-11 ] [ 4.3364000000000007e-10 2.2558500000000003e-10 2.6103600000000003e-10 ] [ 4.00854e-10 2.3114900000000002e-10 4.79378e-10 ] [ 4.1570200000000004e-10 2.19838e-10 8.05353e-10 ] [ 2.53922e-10 4.31267e-10 -1.30544e-11 ] [ 2.70029e-10 4.51493e-10 2.3599000000000003e-10 ] [ 2.72561e-10 4.39358e-10 4.81989e-10 ] [ 2.3496700000000004e-10 4.5672600000000005e-10 7.95271e-10 ] [ 1.36939e-10 6.77949e-10 1.3361500000000001e-11 ] [ 1.5139700000000001e-10 6.809179999999999e-10 2.2221099999999998e-10 ] [ 1.61838e-10 7.05731e-10 5.273170000000001e-10 ] [ 1.4023600000000002e-10 6.74712e-10 8.092549999999999e-10 ] [ 7.86412e-10 -1.8199499999999998e-11 -3.1195e-11 ] [ 7.87067e-10 -5.99447e-11 2.54961e-10 ] [ 7.76506e-10 -1.9760799999999998e-12 5.58805e-10 ] [ 7.79642e-10 2.8380400000000003e-12 7.68034e-10 ] [ 6.643110000000001e-10 2.16023e-10 3.5492300000000003e-13 ] [ 6.431e-10 1.9413700000000001e-10 2.84412e-10 ] [ 6.70356e-10 2.0474100000000002e-10 5.1608e-10 ] [ 6.74068e-10 1.76825e-10 7.94802e-10 ] [ 5.37861e-10 4.5050600000000005e-10 -3.841570000000001e-11 ] [ 5.18526e-10 4.8805e-10 2.50278e-10 ] [ 5.358780000000001e-10 4.63189e-10 5.44052e-10 ] [ 5.37541e-10 4.43597e-10 7.87672e-10 ] [ 4.13979e-10 6.76291e-10 -4.35976e-11 ] [ 3.98975e-10 6.69094e-10 2.6118100000000003e-10 ] [ 4.38282e-10 6.87505e-10 5.19986e-10 ] [ 3.92995e-10 7.04105e-10 8.086330000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.2334444 0.0279369 -3.3404669 ] [ 0.9732452 -1.7467204 0.9922187 ] [ -1.94974 -4.5472962 -1.2508043 ] [ 1.331028 -0.7088899 4.5751748 ] [ 0.639117 0.8656206 -7.8582389 ] [ -0.4660559 1.11529 3.3212639 ] [ -1.6139286 0.8211335 5.8069613 ] [ -2.8358838 -1.8012862 -1.4798069 ] [ -2.0373847 -3.4906772 3.4431059 ] [ 5.939494 -7.4035799 -1.6213389 ] [ -2.553274 -5.3268306 0.9738027 ] [ -0.8418035 -1.216756 -1.8767242 ] [ -0.7338422 1.3162895 1.2089088 ] [ -7.6082648 4.0666097 2.4931451 ] [ -4.9533185 4.7338163 -1.9438504 ] [ -0.2424649 -2.2892824 -1.5646131 ] [ 3.7268091 -5.3733274 1.6527532 ] [ -0.5106368 -0.0948782 3.7694893 ] [ -0.8092986 3.9901112 2.9253158 ] [ 2.8152702 -4.3671795 -12.3017079 ] [ -1.6399799 4.1678259 15.7803107 ] [ 1.3790843 1.4317535 0.0301872 ] [ 4.0780355 0.8639157 3.8735206 ] [ -2.3328545 -1.0601957 -17.3670966 ] [ -7.9820097 -0.2342959 19.7474378 ] [ -2.2201945 2.7978008 0.2946928 ] [ 2.9329406 -4.7008292 -3.5641176 ] [ -5.1074259 1.0110686 -13.2523903 ] [ 0.1975813 0.4392653 -1.112499 ] [ 0.6521771 -0.5897251 2.4388165 ] [ -0.9208089 3.9281554 -1.1890409 ] [ -1.8502971 1.3941176 -0.1438448 ] [ -1.9201051 0.498669 -3.2189663 ] [ 2.387888 -1.4992676 3.9672614 ] [ -0.6634052 1.2394763 -1.5642135 ] [ -2.3052223 1.5392723 0.4936494 ] [ -0.9429054 1.0023198 3.7817651 ] [ -5.6157628 5.0388806 -3.3023295 ] [ 0.2544747 -3.0277681 4.780516 ] [ 1.5588105 1.4612769 -4.4764429 ] [ 2.792879 -1.1063346 10.1398416 ] [ -0.9437332 -3.5313411 0.0513962 ] [ -0.723545 1.9264792 0.7773374 ] [ 7.7893019 -0.0923251 -13.1263892 ] [ 0.7845441 0.1329304 1.1350769 ] [ -2.9764474 -3.3773413 5.5184971 ] [ 4.8880989 -3.1644174 1.934107 ] [ 0.0497721 -2.4732584 -9.6408598 ] [ 1.8438539 -0.0718702 19.8167137 ] [ -2.1192283 7.018808 -2.6441743 ] [ 1.078236 -1.0714925 -5.0023452 ] [ 7.6837811 -3.0447831 -4.2252065 ] [ 0.750423 2.1012414 8.8534288 ] [ 7.1760948 -1.8072639 -3.9197109 ] [ -2.3898106 2.4164098 3.7437124 ] [ -3.8271426 12.3711098 -11.6643111 ] [ 2.5811305 1.9699657 22.1070406 ] [ 6.000274 -3.0776902 -2.0634654 ] [ 2.7745081 -2.2703606 -1.5229965 ] [ 0.0327917 -1.1505882 -20.1618491 ] [ 6.2686473 -8.2527506 41.7097638 ] [ -0.3005698 2.6842238 2.3818712 ] [ -1.6548614 4.6302537 0.5338835 ] [ -0.5346413 4.9685756 -48.6531663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.384902333018149e-09 4.47598484063946e-11 -5.352018013830415e-09 ] [ 1.5593107185926568e-09 -2.7985546110111337e-09 1.5897096169578558e-09 ] [ -3.12382787037516e-09 -7.2855717195169905e-09 -2.004009423166726e-09 ] [ 2.1325419607997523e-09 -1.1357668338585966e-09 7.3302381610256235e-09 ] [ 1.023978323792178e-09 1.3868770992290604e-09 -1.2590286749969863e-08 ] [ -7.467038731178406e-10 1.7868915781338599e-09 5.321251415927713e-09 ] [ -2.5857986918643324e-09 1.315600907094639e-09 9.303777709402265e-09 ] [ -4.543586761099129e-09 -2.885978660786651e-09 -2.370912038011975e-09 ] [ -3.2642501608090997e-09 -5.592681446676545e-09 5.51646382136754e-09 ] [ 9.516118504583196e-09 -1.1861842723732057e-08 -2.597671301375263e-09 ] [ -4.090795942999716e-09 -8.5345235205962e-09 1.5602039320661119e-09 ] [ -1.348717898119419e-09 -1.949458032479304e-09 -3.0068436617023428e-09 ] [ -1.1757448258831549e-09 2.108928280479543e-09 1.936885431996979e-09 ] [ -1.2189784087844683e-08 6.51542704093775e-09 3.994458824391593e-09 ] [ -7.936091161459928e-09 7.584409865508334e-09 -3.114391690871554e-09 ] [ -3.884715973451466e-10 -3.6678347699074415e-09 -2.5067865500703057e-09 ] [ 5.97100645939857e-09 -8.609019607111972e-09 2.648002558808729e-09 ] [ -8.181303494205312e-10 -1.5201163511597878e-10 6.039387678573016e-09 ] [ -1.2966393068489123e-09 6.392862931701701e-09 4.686872621831017e-09 ] [ 4.510560132836507e-09 -6.996992951383803e-09 -1.970950895567321e-08 ] [ -2.6275374760096565e-09 6.6775932715600215e-09 2.5282845080800182e-08 ] [ 2.209536641776246e-09 2.2939220033477187e-09 4.83652264858848e-11 ] [ 6.533733190722508e-09 1.3841455482857536e-09 6.206064196637661e-09 ] [ -3.737644970421753e-09 -1.6986207780072738e-09 -2.7825156372940844e-08 ] [ -1.278858943370135e-08 -3.753834164220006e-10 3.163888342452836e-08 ] [ -3.5571437508353126e-09 4.482571068346507e-09 4.721499183680351e-10 ] [ 4.69908889822994e-09 -7.531558704664914e-09 -5.710345939548158e-09 ] [ -8.18299843686642e-09 1.6199104862910923e-09 -2.123267008330825e-08 ] [ 3.165601421753442e-10 7.037805997870003e-10 -1.782419903148366e-09 ] [ 1.0449029108498813e-09 -9.448437757033134e-10 3.907414810913661e-09 ] [ -1.4752985039592427e-09 6.293598796600924e-09 -1.9050535468503304e-09 ] [ -2.964502779577961e-09 2.233622643768158e-09 -2.3046477748240319e-10 ] [ -3.0763475260442333e-09 7.98955819900146e-10 -5.1573525914934344e-09 ] [ 3.8258183582089915e-09 -2.4020915168332586e-09 6.356253516050128e-09 ] [ -1.0628923103140968e-09 1.985859966256774e-09 -2.506146320287359e-09 ] [ -3.6933733052357384e-09 2.466186112423438e-09 7.909135340681197e-10 ] [ -1.5107009999524235e-09 1.605893363355553e-09 6.0590556784966734e-09 ] [ -8.997443940246415e-09 8.0731767588359e-09 -5.2909151626689025e-09 ] [ 4.077134182841598e-10 -4.851019302990575e-09 7.659231033663144e-09 ] [ 2.497489759933857e-09 2.341223704983955e-09 -7.1720522178151995e-09 ] [ 4.474685475389286e-09 -1.7725434455057365e-09 1.6245817283981176e-08 ] [ -1.512027281770049e-09 -5.6578321971038574e-09 8.23457907163908e-11 ] [ -1.15924689264753e-09 3.0865599601270127e-09 1.2454318190143115e-09 ] [ 1.2479837499351804e-08 -1.479211179517134e-10 -2.1030794065029954e-08 ] [ 1.2569782253625592e-09 2.129779808282736e-10 1.8185936869731548e-09 ] [ -4.7687944766100514e-09 -5.411097315903184e-09 8.841607108416762e-09 ] [ 7.831597842261104e-09 -5.069955618503032e-09 3.098781043055838e-09 ] [ 7.97436956451114e-11 -3.962596818324226e-09 -1.544636030322991e-08 ] [ 2.9541796350897726e-09 -1.1514875512090679e-10 3.174987565280769e-08 ] [ -3.3953780643715424e-09 1.1245370176132272e-08 -4.236434279683306e-09 ] [ 1.7275245251376239e-09 -1.7167202470062449e-09 -8.014640594642056e-09 ] [ 1.2310774539190818e-08 -4.878280338418086e-09 -6.76952712812492e-09 ] [ 1.2023101962161818e-09 3.3665598734734477e-09 1.4184756754142658e-08 ] [ 1.1497371411928904e-08 -2.8955559920517123e-09 -6.28006921601511e-09 ] [ -3.828898703005521e-09 3.871515319728613e-09 5.998088531696062e-09 ] [ -6.131758448706009e-09 1.9820703058208412e-08 -1.8688286696126838e-08 ] [ 4.135426976404737e-09 3.1562330143214537e-09 3.5419383896209345e-08 ] [ 9.613498800397717e-09 -4.9310033251307874e-09 -3.306036048947464e-09 ] [ 4.445252048663735e-09 -3.6375187040742207e-09 -2.440109405963781e-09 ] [ 5.25380955291378e-11 -1.8434455293961189e-09 -3.2302843526253935e-08 ] [ 1.0043480230847188e-08 -1.322236417754948e-08 6.682640897001905e-08 ] [ -4.815659104460532e-10 4.300600652786689e-09 3.8161783818375405e-09 ] [ -2.6513802675885276e-09 7.4184842876320455e-09 8.55375668978139e-10 ] [ -8.565897984313842e-10 7.960535730582532e-09 -7.795096621597624e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -182.02272 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.916325488411245e-17 } }