{ "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" [ 10.5774 0 0 ] "si-unit" "m" "si-value" [ 1.05774e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.5435 9.41396 0 ] "si-unit" "m" "si-value" [ -5.543500000000001e-10 9.41396e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.064938 0.0467405 10.4512 ] "si-unit" "m" "si-value" [ 6.4938e-12 4.67405e-12 1.04512e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.236369 0.26893 0.312575 ] [ -0.468457 -0.0551533 2.71797 ] [ 0.155919 0.092588 5.15124 ] [ -0.018441 0.0929563 7.82273 ] [ -1.55477 1.97581 -0.267213 ] [ -1.04358 2.17509 2.21266 ] [ -1.40284 2.08288 5.10665 ] [ -1.53193 2.47262 7.67232 ] [ -2.52557 4.36371 -0.0687127 ] [ -2.63168 4.78588 2.11088 ] [ -2.8285 4.66387 4.81651 ] [ -2.43747 4.62598 7.37597 ] [ -4.03263 6.85233 0.0129409 ] [ -3.84994 6.83623 2.55746 ] [ -3.98778 6.95546 5.08975 ] [ -4.04437 7.15345 7.98474 ] [ 2.7925 -0.150709 -0.236912 ] [ 2.52744 0.0585484 2.75097 ] [ 2.97937 0.0253826 4.99024 ] [ 2.79178 -0.125765 7.78546 ] [ 1.17257 2.07204 0.331708 ] [ 1.3094 2.34381 2.76563 ] [ 1.18538 2.29758 5.23355 ] [ 1.59625 2.2364 7.51626 ] [ 0.209736 4.7052 -0.38166 ] [ 0.0212178 4.79108 2.50518 ] [ 0.14278 4.68614 5.40679 ] [ 0.0689267 4.99276 7.69231 ] [ -1.30113 6.84139 -0.125401 ] [ -1.32129 6.9098 2.46812 ] [ -1.40757 6.90228 4.65006 ] [ -1.51326 6.89042 7.78065 ] [ 5.65863 -0.119012 -0.254989 ] [ 5.10197 -0.169957 2.56638 ] [ 5.09243 0.203313 5.33098 ] [ 5.4779 0.0404503 7.67487 ] [ 4.26427 2.43752 0.163886 ] [ 3.82857 2.25448 2.19664 ] [ 4.05658 2.33431 4.68086 ] [ 4.02669 2.41042 7.33784 ] [ 2.70197 4.51023 -0.181109 ] [ 2.69021 4.95442 2.77602 ] [ 2.76302 4.59982 5.27878 ] [ 2.51118 4.74862 7.54636 ] [ 1.32887 6.836 -0.11303 ] [ 1.20887 6.93781 2.26344 ] [ 1.34794 6.78344 4.99463 ] [ 1.1866 6.82578 7.72723 ] [ 7.89632 -0.0170417 0.0255252 ] [ 7.53531 0.00656563 2.93328 ] [ 7.75351 0.543148 5.15254 ] [ 7.57049 -0.0404042 7.95999 ] [ 6.60423 2.27111 -0.0474532 ] [ 6.37919 2.09166 2.92245 ] [ 6.73055 2.30287 5.30103 ] [ 6.58072 2.36604 7.68857 ] [ 5.17021 4.6802 0.219605 ] [ 5.33653 4.41662 2.44533 ] [ 5.28123 4.72183 5.09151 ] [ 4.95328 4.74786 7.55719 ] [ 4.06766 6.86832 -0.154912 ] [ 3.74255 7.04003 2.54371 ] [ 3.95151 7.01529 5.08037 ] [ 3.49217 7.04854 7.79727 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.36369e-11 2.6893e-11 3.12575e-11 ] [ -4.6845700000000004e-11 -5.5153300000000005e-12 2.71797e-10 ] [ 1.55919e-11 9.258800000000001e-12 5.15124e-10 ] [ -1.8440999999999998e-12 9.29563e-12 7.822730000000001e-10 ] [ -1.5547700000000002e-10 1.97581e-10 -2.67213e-11 ] [ -1.04358e-10 2.17509e-10 2.2126600000000002e-10 ] [ -1.4028400000000001e-10 2.08288e-10 5.10665e-10 ] [ -1.5319300000000002e-10 2.47262e-10 7.672320000000001e-10 ] [ -2.5255700000000003e-10 4.36371e-10 -6.87127e-12 ] [ -2.6316799999999996e-10 4.78588e-10 2.11088e-10 ] [ -2.8285e-10 4.663870000000001e-10 4.81651e-10 ] [ -2.43747e-10 4.62598e-10 7.37597e-10 ] [ -4.0326300000000004e-10 6.85233e-10 1.29409e-12 ] [ -3.84994e-10 6.83623e-10 2.55746e-10 ] [ -3.9877800000000003e-10 6.955460000000001e-10 5.089750000000001e-10 ] [ -4.04437e-10 7.153450000000001e-10 7.984740000000001e-10 ] [ 2.7925e-10 -1.5070900000000002e-11 -2.3691200000000002e-11 ] [ 2.52744e-10 5.85484e-12 2.7509700000000004e-10 ] [ 2.97937e-10 2.53826e-12 4.99024e-10 ] [ 2.7917800000000005e-10 -1.2576499999999999e-11 7.78546e-10 ] [ 1.17257e-10 2.07204e-10 3.31708e-11 ] [ 1.3094e-10 2.34381e-10 2.76563e-10 ] [ 1.1853800000000002e-10 2.29758e-10 5.23355e-10 ] [ 1.59625e-10 2.2364000000000002e-10 7.51626e-10 ] [ 2.09736e-11 4.705199999999999e-10 -3.8166e-11 ] [ 2.12178e-12 4.79108e-10 2.50518e-10 ] [ 1.4278e-11 4.68614e-10 5.40679e-10 ] [ 6.89267e-12 4.99276e-10 7.69231e-10 ] [ -1.30113e-10 6.84139e-10 -1.2540100000000002e-11 ] [ -1.32129e-10 6.9098e-10 2.46812e-10 ] [ -1.4075700000000001e-10 6.902280000000001e-10 4.65006e-10 ] [ -1.51326e-10 6.89042e-10 7.780649999999999e-10 ] [ 5.65863e-10 -1.1901200000000002e-11 -2.5498900000000004e-11 ] [ 5.10197e-10 -1.69957e-11 2.5663800000000004e-10 ] [ 5.09243e-10 2.03313e-11 5.33098e-10 ] [ 5.4779e-10 4.04503e-12 7.674870000000001e-10 ] [ 4.2642699999999997e-10 2.4375200000000003e-10 1.63886e-11 ] [ 3.8285700000000004e-10 2.2544800000000002e-10 2.19664e-10 ] [ 4.0565800000000006e-10 2.33431e-10 4.680860000000001e-10 ] [ 4.0266900000000006e-10 2.41042e-10 7.337840000000001e-10 ] [ 2.7019700000000003e-10 4.5102300000000004e-10 -1.81109e-11 ] [ 2.6902100000000003e-10 4.95442e-10 2.77602e-10 ] [ 2.7630200000000003e-10 4.5998200000000007e-10 5.27878e-10 ] [ 2.51118e-10 4.74862e-10 7.546360000000001e-10 ] [ 1.32887e-10 6.836000000000001e-10 -1.1303e-11 ] [ 1.2088699999999998e-10 6.93781e-10 2.2634400000000003e-10 ] [ 1.34794e-10 6.78344e-10 4.99463e-10 ] [ 1.1866e-10 6.82578e-10 7.72723e-10 ] [ 7.89632e-10 -1.70417e-12 2.55252e-12 ] [ 7.53531e-10 6.565630000000001e-13 2.93328e-10 ] [ 7.75351e-10 5.4314799999999996e-11 5.15254e-10 ] [ 7.570490000000001e-10 -4.040420000000001e-12 7.95999e-10 ] [ 6.60423e-10 2.2711100000000004e-10 -4.74532e-12 ] [ 6.379190000000001e-10 2.09166e-10 2.92245e-10 ] [ 6.73055e-10 2.3028700000000001e-10 5.30103e-10 ] [ 6.580720000000001e-10 2.36604e-10 7.68857e-10 ] [ 5.17021e-10 4.6802e-10 2.19605e-11 ] [ 5.33653e-10 4.41662e-10 2.44533e-10 ] [ 5.28123e-10 4.72183e-10 5.091510000000001e-10 ] [ 4.953280000000001e-10 4.74786e-10 7.55719e-10 ] [ 4.06766e-10 6.86832e-10 -1.54912e-11 ] [ 3.74255e-10 7.04003e-10 2.54371e-10 ] [ 3.95151e-10 7.01529e-10 5.08037e-10 ] [ 3.4921700000000004e-10 7.04854e-10 7.79727e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.255385 -10.7715111 -0.9305367 ] [ -0.9468353 -1.5515039 -0.185756 ] [ 2.7860862 -6.2945883 -0.1552824 ] [ -0.2717065 -2.7659222 -0.5297293 ] [ 3.1669098 1.7305718 -0.3892433 ] [ -2.0704393 4.6929649 4.3791065 ] [ 6.6941737 4.8682995 -1.0516564 ] [ 3.1599677 -5.7044923 0.5601711 ] [ 2.3401282 2.2929236 -1.3272357 ] [ 0.2716254 -1.2500857 3.0288513 ] [ 0.9575764 -0.8258951 -0.1377691 ] [ -1.1160458 -0.6988247 -1.1872312 ] [ 2.9868032 0.7689116 -0.3495137 ] [ -0.7465567 4.1848798 -0.0032114 ] [ 0.2026469 5.0746418 3.4278977 ] [ -4.824794 -0.1058892 -4.3014666 ] [ 2.4182339 -2.0087794 0.5828697 ] [ -1.82517 -4.471148 -1.2686456 ] [ -10.7191195 -6.4429675 4.562661 ] [ 0.1120214 1.4195759 -3.7775954 ] [ 7.517662 13.3071754 -3.6391953 ] [ 0.0893487 3.6243709 -0.3295547 ] [ 1.5253506 1.5280272 -1.4284502 ] [ 0.1286757 -0.9267679 0.8121432 ] [ -2.4088289 -6.0147661 3.9663622 ] [ 0.4209299 -7.5990085 0.1782297 ] [ -2.1282772 1.4967284 -4.4909895 ] [ -3.7539958 -5.4046846 0.7485812 ] [ -2.6027396 3.351293 -0.0594959 ] [ 0.3998003 1.4189985 -2.9634788 ] [ 3.5276041 0.4169773 4.6907835 ] [ -0.3389317 2.1328031 0.6840742 ] [ -12.1250135 -3.3194551 5.9792673 ] [ -0.7309625 0.9786644 -1.7691401 ] [ 6.6833922 -1.5248919 -1.5158162 ] [ -8.4869282 0.1139509 -0.5051779 ] [ -0.5285372 -0.3820011 -4.2550626 ] [ -0.7901307 -1.9879258 4.1684154 ] [ -1.3050581 2.7608707 1.7397246 ] [ 1.268628 -2.3797621 -0.0649285 ] [ -1.1810501 -1.3467263 -2.4419964 ] [ 0.6302498 -3.0883103 0.4520886 ] [ -0.8059231 -1.9321247 -2.2187967 ] [ 0.3699909 -2.4386462 4.0148818 ] [ 2.2323593 3.8347267 -0.0436561 ] [ 0.7053706 2.236109 2.1677955 ] [ -3.3797407 1.3656682 -0.2749878 ] [ -0.2843436 6.8341324 -2.0560695 ] [ 2.3264171 -3.4009865 1.8039428 ] [ 1.8290229 -1.8370621 -2.7440028 ] [ 0.124722 -14.1638718 2.7105601 ] [ 10.305555 -2.0861427 -4.5071228 ] [ -1.6886738 1.5885498 -1.6776381 ] [ 0.3059249 1.1971704 -1.6439349 ] [ -7.7876565 10.1061199 0.33284 ] [ -0.7079142 3.7752303 1.9787333 ] [ 2.8488763 -0.0464319 -1.5826197 ] [ -0.0100173 1.7590899 2.5309231 ] [ 0.0427995 -0.6484257 -0.2133708 ] [ 3.5620105 3.4479885 0.6167966 ] [ -2.4965402 0.321354 1.4293733 ] [ 1.482164 1.633313 -2.197434 ] [ 1.6939725 3.8914319 2.9573893 ] [ 5.2003146 5.2660859 -2.2866707 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.81787841567409e-09 -1.7257863397291636e-08 -1.4908841578194678e-09 ] [ -1.5169973939063803e-09 -2.4857832961398726e-09 -2.97613922825304e-10 ] [ 4.463802209949851e-09 -1.0085042294909783e-08 -2.487898329514416e-10 ] [ -4.3532180560592105e-10 -4.4314959203018745e-09 -8.487199068051761e-10 ] [ 5.073948883545613e-09 2.7726817014193213e-09 -6.236365202010522e-10 ] [ -3.317209468575316e-09 7.518958706962147e-09 7.016102112097521e-09 ] [ 1.0725248686077326e-08 7.799875706213884e-09 -1.6849393110765576e-09 ] [ 5.062826413134722e-09 -9.139604271892918e-09 8.974930474620774e-10 ] [ 3.749298722604479e-09 3.673668615467162e-09 -2.1264660263506337e-09 ] [ 4.3519186908090363e-10 -2.002858099037534e-09 4.852754780720524e-09 ] [ 1.5342065333498375e-09 -1.3232298313550933e-09 -2.2073043290720942e-10 ] [ -1.7881025032338372e-09 -1.1196406056020597e-09 -1.9021540877957807e-09 ] [ 4.785386297396429e-09 1.2319321991315544e-09 -5.599826834028858e-10 ] [ -1.1961157006961478e-09 6.704916631658594e-09 -5.1452300424276e-12 ] [ 3.246761281325346e-10 8.130472517879702e-09 5.492097598682342e-09 ] [ -7.730172210663396e-09 -1.696532020329528e-10 -6.891709278451425e-09 ] [ 3.874437850126693e-09 -3.2184194175405394e-09 9.3386021400659e-10 ] [ -2.9242447270777798e-09 -7.163568852755833e-09 -2.0325943371469104e-09 ] [ -1.717392279995376e-08 -1.0322771982121395e-08 7.310188843063074e-09 ] [ 1.7947806958796758e-10 2.2744113371695203e-09 -6.052375082585883e-09 ] [ 1.2044622398709707e-08 2.1320445490419604e-08 -5.83063367622262e-09 ] [ 1.431523994182758e-10 5.806882368929551e-09 -5.280048399648798e-10 ] [ 2.44388108997788e-09 2.4481694759564446e-09 -2.2886295332726267e-09 ] [ 2.0616119990359382e-10 -1.4848458745212486e-09 1.3011968585019888e-09 ] [ -3.859369378883923e-09 -9.636717704395307e-09 6.354812838820835e-09 ] [ 6.744040503319566e-10 -1.2174953860267388e-08 2.855554608248298e-10 ] [ -3.4098760005149445e-09 2.3980232699242057e-09 -7.195358440439343e-09 ] [ -6.014564354894138e-09 -8.659259380259637e-09 1.1993593072916807e-09 ] [ -4.1700485715065065e-09 5.369363338287762e-09 -9.532294079880059e-11 ] [ 6.405506989261902e-10 2.273486240381049e-09 -4.748016488714359e-09 ] [ 5.6518448630226e-09 6.680712869684082e-10 7.515463718852739e-09 ] [ -5.430284502618978e-10 3.4171272917427652e-09 1.0960076991622428e-09 ] [ -1.9426413316634558e-08 -5.318353398832133e-09 9.579842356500269e-09 ] [ -1.171131037830225e-09 1.5679932342076295e-09 -2.8344749304924234e-09 ] [ 1.0707974818697855e-08 -2.4431461715558646e-09 -2.4286052970786707e-09 ] [ -1.3597558056475679e-08 1.825694694032706e-10 -8.093842273931886e-10 ] [ -8.468099520397849e-10 -6.120332365822974e-10 -6.817361873927288e-09 ] [ -1.2659289453460638e-09 -3.185008266885757e-09 6.678537754685764e-09 ] [ -2.0909335938324357e-09 4.423402525035224e-09 2.7873461037149962e-09 ] [ 2.032566138838152e-09 -3.812799231098772e-09 -1.04026925580669e-10 ] [ -1.8922508738033635e-09 -2.1576934102532743e-09 -3.9125095723921175e-09 ] [ 1.0097715031431732e-09 -4.94801860120153e-09 7.243257914177725e-10 ] [ -1.2912311596208453e-09 -3.0956050483142596e-09 -3.5549042283363076e-09 ] [ 5.927907747726306e-10 -3.9071419602328905e-09 6.432549808231862e-09 ] [ 3.5766339091525966e-09 6.143909516515928e-09 -6.994478335156741e-11 ] [ 1.1301282936305604e-09 3.5826415908771057e-09 3.473191297390347e-09 ] [ -5.414941578518804e-09 2.188041679836839e-09 -4.405790277950652e-10 ] [ -4.5556867194744236e-10 1.0949487244942341e-08 -3.294186510780063e-09 ] [ 3.727331118558042e-09 -5.4489811028494415e-09 2.890235003232535e-09 ] [ 2.9304177534309185e-09 -2.9432979718269713e-09 -4.396377169790575e-09 ] [ 1.99826674145748e-10 -2.2693024444931522e-08 4.342796057272703e-09 ] [ 1.651131942140187e-08 -3.3423690891296718e-09 -7.221206836728656e-09 ] [ -2.705553704807989e-09 2.5451373715053734e-09 -2.6878725641281552e-09 ] [ 4.901457265387866e-10 1.9180784417964338e-09 -2.6338740845971267e-09 ] [ -1.2477201277918221e-08 1.6191789164182417e-08 5.3326847086056e-10 ] [ -1.1342035901168028e-09 6.04858577462881e-09 3.1702802581777123e-09 ] [ 4.564403041016374e-09 -7.439210525222459e-11 -2.53563630384809e-09 ] [ -1.60494839957682e-11 2.8183727348853965e-09 4.054985853270845e-09 ] [ 6.8572358846883e-11 -1.0388925054250937e-09 -3.418577101378872e-10 ] [ 5.706969993162657e-09 5.524286609000709e-09 9.882171004506445e-10 ] [ -3.999898374281687e-09 5.148658700424359e-10 2.290108502523472e-09 ] [ 2.374688528555976e-09 2.616855924608442e-09 -3.5206774095571558e-09 ] [ 2.714043158138565e-09 6.234761262982225e-09 4.738260034101616e-09 ] [ 8.331822541569056e-09 8.437199781616861e-09 -3.6636503651924243e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -218.81763 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.505844938932574e-17 } }