{ "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" [ 10.5412 0 0 ] "si-unit" "m" "si-value" [ 1.05412e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.30912 9.14864 0 ] "si-unit" "m" "si-value" [ -5.30912e-10 9.14864e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0543286 0.019795 10.8232 ] "si-unit" "m" "si-value" [ 5.43286e-12 1.9795e-12 1.08232e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.286699 0.153382 0.373585 ] [ -0.187054 0.367397 2.85917 ] [ -0.118437 0.045237 5.29812 ] [ 0.161464 0.204785 7.78512 ] [ -1.31943 2.27186 0.0564818 ] [ -1.27142 2.1522 2.24599 ] [ -1.33754 2.32527 5.2183 ] [ -1.06279 2.24208 8.02228 ] [ -2.54101 4.69741 0.0615276 ] [ -2.56902 4.80047 2.86272 ] [ -2.84351 4.68844 5.4509 ] [ -2.65944 4.56647 7.82922 ] [ -3.75335 6.86254 -0.00837524 ] [ -4.01979 6.84927 2.12554 ] [ -3.98123 6.86615 5.18655 ] [ -4.16031 6.92891 7.39891 ] [ 2.60746 -0.0636241 -0.310305 ] [ 3.04045 -0.0925071 2.38474 ] [ 2.61605 0.0593251 5.65186 ] [ 2.61477 0.0296499 7.78516 ] [ 1.32145 2.17028 0.0126449 ] [ 1.60396 2.15959 2.52799 ] [ 1.30724 2.30873 5.39167 ] [ 1.26384 2.35954 7.59895 ] [ -0.104948 4.5869 -0.469244 ] [ -0.0877149 4.73441 2.39274 ] [ -0.0116221 5.05796 5.31576 ] [ 0.220851 4.43169 7.92722 ] [ -1.1327 6.75825 0.187518 ] [ -1.47179 6.51111 2.84724 ] [ -1.19415 7.05782 5.14551 ] [ -1.35897 6.8173 7.86939 ] [ 5.25996 -0.0649457 -0.0171645 ] [ 5.27266 0.0188076 2.88871 ] [ 5.1805 -0.00119386 4.74664 ] [ 5.18778 0.223665 7.83523 ] [ 3.90424 1.94181 0.0870598 ] [ 4.04699 2.36001 3.0742 ] [ 3.74444 2.62006 4.95649 ] [ 3.71365 2.01938 7.65747 ] [ 2.65571 4.63737 0.230889 ] [ 2.42179 4.76107 2.76443 ] [ 2.79983 4.57751 5.20168 ] [ 2.62512 4.60433 7.8204 ] [ 1.32716 6.84668 -0.358965 ] [ 1.22891 6.94561 2.6199 ] [ 1.3277 6.78423 5.43376 ] [ 1.32466 6.85798 7.90871 ] [ 7.90588 0.00998967 -0.16703 ] [ 8.02626 0.206874 2.33479 ] [ 7.91227 0.169129 5.31396 ] [ 7.85676 0.0210477 7.54887 ] [ 6.94188 2.38798 0.285476 ] [ 6.94129 2.50643 2.80075 ] [ 6.63163 2.33666 5.64131 ] [ 6.30023 2.42301 8.07149 ] [ 5.22299 4.55947 -0.0816771 ] [ 5.20287 4.48787 3.06496 ] [ 5.00356 4.27866 5.27795 ] [ 5.18771 4.64392 7.97119 ] [ 3.89152 6.59134 0.00694915 ] [ 3.93864 6.86941 2.98575 ] [ 3.98098 6.86554 5.00501 ] [ 3.90778 6.99502 7.60915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -2.86699e-11 1.53382e-11 3.73585e-11 ] [ -1.87054e-11 3.67397e-11 2.85917e-10 ] [ -1.18437e-11 4.5237e-12 5.29812e-10 ] [ 1.61464e-11 2.04785e-11 7.78512e-10 ] [ -1.31943e-10 2.2718600000000004e-10 5.64818e-12 ] [ -1.27142e-10 2.1522e-10 2.24599e-10 ] [ -1.33754e-10 2.3252700000000002e-10 5.2183e-10 ] [ -1.06279e-10 2.24208e-10 8.02228e-10 ] [ -2.54101e-10 4.69741e-10 6.1527600000000005e-12 ] [ -2.5690200000000003e-10 4.80047e-10 2.86272e-10 ] [ -2.84351e-10 4.68844e-10 5.4509e-10 ] [ -2.65944e-10 4.56647e-10 7.82922e-10 ] [ -3.7533500000000003e-10 6.86254e-10 -8.375240000000001e-13 ] [ -4.0197900000000003e-10 6.84927e-10 2.1255400000000001e-10 ] [ -3.9812300000000004e-10 6.86615e-10 5.186550000000001e-10 ] [ -4.16031e-10 6.928910000000001e-10 7.39891e-10 ] [ 2.60746e-10 -6.3624100000000006e-12 -3.10305e-11 ] [ 3.04045e-10 -9.25071e-12 2.38474e-10 ] [ 2.61605e-10 5.93251e-12 5.651860000000001e-10 ] [ 2.6147700000000004e-10 2.9649900000000003e-12 7.785160000000001e-10 ] [ 1.32145e-10 2.17028e-10 1.2644900000000002e-12 ] [ 1.60396e-10 2.1595900000000001e-10 2.52799e-10 ] [ 1.30724e-10 2.3087300000000003e-10 5.391670000000001e-10 ] [ 1.2638400000000002e-10 2.3595400000000003e-10 7.598950000000001e-10 ] [ -1.0494800000000001e-11 4.5869e-10 -4.69244e-11 ] [ -8.77149e-12 4.73441e-10 2.39274e-10 ] [ -1.16221e-12 5.05796e-10 5.31576e-10 ] [ 2.20851e-11 4.4316899999999997e-10 7.92722e-10 ] [ -1.1327000000000001e-10 6.758250000000001e-10 1.87518e-11 ] [ -1.47179e-10 6.51111e-10 2.84724e-10 ] [ -1.1941500000000002e-10 7.05782e-10 5.14551e-10 ] [ -1.3589700000000002e-10 6.817300000000001e-10 7.869390000000001e-10 ] [ 5.25996e-10 -6.49457e-12 -1.71645e-12 ] [ 5.27266e-10 1.88076e-12 2.88871e-10 ] [ 5.180500000000001e-10 -1.19386e-13 4.74664e-10 ] [ 5.18778e-10 2.2366500000000002e-11 7.83523e-10 ] [ 3.90424e-10 1.94181e-10 8.705980000000001e-12 ] [ 4.04699e-10 2.36001e-10 3.0742e-10 ] [ 3.7444400000000004e-10 2.62006e-10 4.956489999999999e-10 ] [ 3.71365e-10 2.01938e-10 7.65747e-10 ] [ 2.65571e-10 4.63737e-10 2.3088900000000003e-11 ] [ 2.4217900000000003e-10 4.76107e-10 2.76443e-10 ] [ 2.79983e-10 4.5775100000000006e-10 5.20168e-10 ] [ 2.62512e-10 4.60433e-10 7.8204e-10 ] [ 1.32716e-10 6.846680000000001e-10 -3.58965e-11 ] [ 1.22891e-10 6.94561e-10 2.6199e-10 ] [ 1.3277000000000002e-10 6.78423e-10 5.43376e-10 ] [ 1.32466e-10 6.85798e-10 7.908710000000001e-10 ] [ 7.90588e-10 9.989670000000002e-13 -1.6703e-11 ] [ 8.026260000000001e-10 2.06874e-11 2.33479e-10 ] [ 7.91227e-10 1.69129e-11 5.31396e-10 ] [ 7.856760000000001e-10 2.10477e-12 7.54887e-10 ] [ 6.94188e-10 2.3879800000000003e-10 2.8547600000000002e-11 ] [ 6.941290000000001e-10 2.50643e-10 2.80075e-10 ] [ 6.63163e-10 2.3366600000000005e-10 5.64131e-10 ] [ 6.30023e-10 2.4230100000000004e-10 8.071490000000001e-10 ] [ 5.22299e-10 4.5594700000000004e-10 -8.16771e-12 ] [ 5.20287e-10 4.4878700000000003e-10 3.0649600000000004e-10 ] [ 5.003560000000001e-10 4.2786600000000006e-10 5.27795e-10 ] [ 5.187710000000001e-10 4.64392e-10 7.97119e-10 ] [ 3.89152e-10 6.59134e-10 6.949150000000001e-13 ] [ 3.93864e-10 6.86941e-10 2.9857500000000003e-10 ] [ 3.9809800000000003e-10 6.86554e-10 5.005010000000001e-10 ] [ 3.90778e-10 6.99502e-10 7.60915e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 15.66052 -17.1984666 -15.6665995 ] [ 13.2505911 -6.3137062 5.6406488 ] [ -0.5817313 -0.0568216 -3.692598 ] [ -4.8064355 -2.603322 9.7049102 ] [ 4.821164 7.2822306 -8.6802329 ] [ 5.8303922 17.4777473 13.0861284 ] [ 2.3259879 8.1865683 0.3977216 ] [ -11.1001773 -0.8134364 4.9312946 ] [ -4.5243065 0.7810754 -3.6631237 ] [ -6.8745304 -2.5665665 4.7406032 ] [ 2.0938826 -2.8592773 -0.2459557 ] [ 3.7376497 0.9736277 1.642557 ] [ -3.89235 3.7407673 -3.1515219 ] [ -7.3393519 7.4234991 -3.0848714 ] [ 1.3589357 -0.9162466 0.1780881 ] [ -2.3597899 -5.9671196 4.6416108 ] [ -7.3487732 -2.2368341 -7.6457963 ] [ -11.156415 -5.2010688 -3.9989827 ] [ 3.3263576 -6.1987686 -12.5168061 ] [ 1.2186082 -9.3775892 7.483167 ] [ 4.2233298 2.3166694 -0.5005914 ] [ 1.4227615 -1.8283842 -4.7593803 ] [ -5.7217381 2.0970368 -1.5054878 ] [ -1.8422408 7.2994903 -2.1128864 ] [ 2.9175394 -3.6302072 -8.595964 ] [ 6.8601097 -11.1544378 -0.8584955 ] [ -1.830619 -8.5355432 3.3159548 ] [ -2.6991269 1.7547145 3.4741836 ] [ 2.5783429 5.1010094 1.596532 ] [ -3.5267813 5.4702126 2.005982 ] [ -3.2440519 2.4491194 -0.7438229 ] [ -1.2633562 -0.6465872 2.9891927 ] [ 2.9130803 3.7066513 -3.33102 ] [ 3.9891054 4.3783237 -8.1577452 ] [ 6.0214725 -1.5013898 12.4499856 ] [ 7.5790417 -2.8714377 5.6283146 ] [ 6.3281693 6.4343084 -3.1530939 ] [ -3.1135539 -6.5577977 -19.2364265 ] [ -5.024269 -18.0208563 13.5173543 ] [ 5.4842358 7.1128321 7.8724418 ] [ -2.2089656 -4.176359 5.1311753 ] [ -6.3564371 1.94809 -6.3508891 ] [ -12.2616408 5.7927938 9.6949335 ] [ 4.9849415 2.0901707 2.6880422 ] [ 2.5950125 0.3509279 -7.0082665 ] [ 2.9886977 4.8046291 -2.949711 ] [ 3.4885211 2.3847756 4.3070833 ] [ -2.2368202 3.3621398 4.3545105 ] [ -4.7404909 -6.0184552 -7.098676 ] [ -14.6138347 -15.1885163 8.5072127 ] [ -4.9723346 -0.6246311 2.4619382 ] [ -0.4165491 -0.6111394 1.3556569 ] [ -16.0604994 5.7820455 -8.2558986 ] [ -2.2805346 1.2104695 -0.7471207 ] [ -1.635481 -0.4912184 3.900735 ] [ 3.9688144 1.7471921 4.4092799 ] [ -1.0359007 -5.0042493 -5.8436561 ] [ 13.4642612 7.438729 -16.6295199 ] [ 11.4728674 7.736541 12.4567129 ] [ 0.5806227 -1.1024082 8.0619864 ] [ 3.8719607 2.5875414 -1.7408257 ] [ 3.9098265 1.9719543 -3.9733577 ] [ 1.2118376 4.5159697 0.2965475 ] [ 0.5904464 2.5629885 2.9768378 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.5090919013570818e-08 -2.7554981100129665e-08 -2.5100659446336972e-08 ] [ 2.1229787272200556e-08 -1.011567246424001e-08 9.037315633503576e-09 ] [ -9.32036288447591e-10 -9.103823907644929e-11 -5.916194185612838e-09 ] [ -7.700758587483159e-09 -4.170981644814298e-09 1.5548980229403455e-08 ] [ 7.72435624584261e-09 1.1667419614594357e-08 -1.3907266215478985e-08 ] [ 9.341318072934678e-09 2.8002438108310327e-08 2.096628897926691e-08 ] [ 3.7266434336436885e-09 1.31163283348424e-08 6.372202491071693e-10 ] [ -1.778444455679487e-08 -1.303268782587717e-09 7.900804918397289e-09 ] [ -7.248738099633475e-09 1.2514207449620083e-09 -5.868971151238393e-09 ] [ -1.1014211885858873e-08 -4.112092842028483e-09 7.595283615529666e-09 ] [ 3.3547697484199183e-09 -4.581067242444148e-09 -3.940644722924986e-10 ] [ 5.988374966080134e-09 1.5599235383032761e-09 2.6316664237313857e-09 ] [ -6.23623216997088e-09 5.99336991191314e-09 -5.049294708119196e-09 ] [ -1.175893802600406e-08 1.1893756702549841e-08 -4.942508835254565e-09 ] [ 2.1772550077104826e-09 -1.4679888814074894e-09 2.8532859026269246e-10 ] [ -3.78080020777997e-09 -9.560379516637449e-09 7.436680306612784e-09 ] [ -1.1774032612601603e-08 -3.583803299628209e-09 -1.2249916079259143e-08 ] [ -1.7874547284942433e-08 -8.333030834532311e-09 -6.407076588923661e-09 ] [ 5.329412379140398e-09 -9.931522128669148e-09 -2.0054134100506827e-08 ] [ 1.9524255679551706e-09 -1.5024554175706573e-08 1.1989355216942073e-08 ] [ 6.76652026748794e-09 3.7117135508027636e-09 -8.020358376535411e-10 ] [ 2.2795152122743393e-09 -2.9293944190801113e-09 -7.625367846156091e-09 ] [ -9.167235014160612e-09 3.359823333917246e-09 -2.4120573560596266e-09 ] [ -2.9515951396438887e-09 1.169507270241638e-08 -3.385217192486277e-09 ] [ 4.67441341694286e-09 -5.81623310449983e-09 -1.3772252554038452e-08 ] [ 1.0991107377463302e-08 -1.7871379461327786e-08 -1.3754614191620063e-09 ] [ -2.9329749633922754e-09 -1.3675447760868418e-08 5.31274525618954e-09 ] [ -4.32447801575238e-09 2.8113625480787614e-09 5.566255740286779e-09 ] [ 4.130960714785672e-09 8.172718003161035e-09 2.5579262447590657e-09 ] [ -5.650526545534632e-09 8.764246738525582e-09 3.2139374621456255e-09 ] [ -5.19754411084182e-09 3.9239218442277236e-09 -1.1917356603956564e-09 ] [ -2.0241197673827292e-09 -1.0359468951485338e-09 4.789214659006028e-09 ] [ 4.66726915117305e-09 5.938710054317927e-09 -5.3368823674172165e-09 ] [ 6.391251409787033e-09 7.014847870434554e-09 -1.3070148637883421e-08 ] [ 9.647462462290128e-09 -2.405491636267588e-09 1.994707585761666e-08 ] [ 1.2142963419808289e-08 -4.6005503510237244e-09 9.017554066627304e-09 ] [ 1.0138844904924301e-08 1.0308898489497055e-08 -5.051813329767093e-09 ] [ -4.988463266180661e-09 -1.0506750158876012e-08 -3.0820152806037575e-08 ] [ -8.049766328410196e-09 -2.8872594650656388e-08 2.1657189034530348e-08 ] [ 8.786714381714386e-09 1.1396013298295769e-08 1.2613042200568669e-08 ] [ -3.5391530404714446e-09 -6.691264749867667e-09 8.221049102886426e-09 ] [ -1.0184134913205752e-08 3.1211842532142724e-09 -1.0175246037313554e-08 ] [ -1.964531422240741e-08 9.281078795475192e-09 1.5532995793910716e-08 ] [ 7.986756727355683e-09 3.3488226290211702e-09 4.306718368563798e-09 ] [ 4.15766835818376e-09 5.622484769664404e-10 -1.1228480738635844e-08 ] [ 4.788421581578732e-09 7.697864415635345e-09 -4.725958002316589e-09 ] [ 5.589226947587499e-09 3.820831712174293e-09 6.900708167098113e-09 ] [ -3.5837810293731804e-09 5.386741783421188e-09 6.976694918128119e-09 ] [ -7.595103691095152e-09 -9.642628214772188e-09 -1.1373332725834062e-08 ] [ -2.3413944296575784e-08 -2.433468572049972e-08 1.3630057296112845e-08 ] [ -7.966558246914919e-09 -1.0007693450445868e-09 3.944459825894435e-09 ] [ -6.673852294352813e-10 -9.791532587297396e-10 2.172001791006204e-09 ] [ -2.573175665705243e-08 9.263858120501846e-09 -1.3227407720615451e-08 ] [ -3.6538192190454802e-09 1.9393859330914657e-09 -1.1970193184557305e-09 ] [ -2.620329421962605e-09 -7.870186361867828e-10 6.249666420936288e-09 ] [ 6.358741643974379e-09 2.799310334666456e-09 7.0644451703433616e-09 ] [ -1.6596958830103547e-09 -8.017691233114765e-09 -9.362569183415306e-09 ] [ 2.1572124510984553e-08 1.1918157692266965e-08 -2.6643427998908353e-08 ] [ 1.8381559921818483e-08 1.2395305116060654e-08 1.9957854180397767e-08 ] [ 9.302601154457722e-10 -1.7662526446182105e-09 1.2916726127287558e-08 ] [ 6.203564910196402e-09 4.1456983364321015e-09 -2.7891102374277945e-09 ] [ 6.264232609684291e-09 3.1594190767460293e-09 -6.366020813015661e-09 ] [ 1.941577870926382e-09 7.23538107358119e-09 4.751214714566881e-10 ] [ 9.459994179155253e-10 4.1063602540792606e-09 4.769419927073707e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 53.377383 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.551999512208738e-18 } }