{ "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" [ 10.8361 0 0 ] "si-unit" "m" "si-value" [ 1.08361e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.16509 9.32986 0 ] "si-unit" "m" "si-value" [ -5.16509e-10 9.32986e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.338382 0.285992 10.2675 ] "si-unit" "m" "si-value" [ 3.38382e-11 2.85992e-11 1.02675e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.226915 0.0279141 0.00178709 ] [ 0.00521394 -0.00120898 2.61988 ] [ 0.111086 -0.00441851 5.39688 ] [ -0.00811775 0.00988404 7.76446 ] [ -1.26892 2.00974 -0.128773 ] [ -1.51778 2.36617 2.46995 ] [ -1.29504 2.30049 5.2473 ] [ -1.58222 2.22335 7.67671 ] [ -2.57393 4.57709 0.303636 ] [ -2.71158 4.50657 2.20402 ] [ -2.29766 4.85067 5.36604 ] [ -2.53013 5.02991 7.91092 ] [ -4.04953 6.9583 -0.290266 ] [ -3.92011 6.89235 2.29412 ] [ -3.94024 6.80767 5.1746 ] [ -4.02059 6.91717 8.22515 ] [ 2.55027 0.0107665 0.137903 ] [ 2.73854 0.0758287 2.41415 ] [ 2.88705 0.428661 5.25833 ] [ 2.96792 0.198107 8.129 ] [ 1.17194 2.3249 0.241827 ] [ 1.411 2.209 2.91902 ] [ 1.2891 1.94714 4.88894 ] [ 1.29288 2.19289 7.8659 ] [ 0.00639291 4.77216 0.0234148 ] [ -0.0213263 4.6438 2.62467 ] [ -0.236535 4.59722 5.02665 ] [ 0.0198478 4.59769 7.81845 ] [ -1.31921 6.83806 0.0664341 ] [ -1.28766 6.8641 2.75104 ] [ -1.23014 7.04914 5.08588 ] [ -1.40792 7.24847 7.99066 ] [ 5.56053 0.0385699 0.241581 ] [ 5.15835 0.216277 2.54291 ] [ 5.29544 0.000750747 5.09452 ] [ 5.36985 0.0699487 7.97644 ] [ 4.01598 2.01186 -0.260287 ] [ 4.01533 2.24671 2.48669 ] [ 3.98846 2.29098 4.91301 ] [ 4.10827 2.29632 7.85242 ] [ 2.56747 4.49522 -0.138841 ] [ 2.86035 4.53832 2.45489 ] [ 2.68672 4.96676 5.26116 ] [ 2.68347 4.4963 7.37849 ] [ 1.31877 6.83213 0.0410508 ] [ 1.66677 6.5533 2.52828 ] [ 1.32642 6.86023 5.17956 ] [ 1.00003 7.08995 7.7783 ] [ 7.8962 0.0196713 0.322052 ] [ 7.8775 -0.259473 2.75098 ] [ 7.6397 0.0359307 5.05376 ] [ 7.97203 0.0567385 7.89895 ] [ 6.56802 2.27165 -0.144672 ] [ 6.42437 2.2899 2.41541 ] [ 6.57384 2.26553 5.04812 ] [ 6.62454 2.30565 7.76409 ] [ 5.0871 4.70438 -0.418777 ] [ 5.46675 4.43674 2.45804 ] [ 5.64549 4.39342 5.3916 ] [ 5.30187 4.59667 7.61215 ] [ 3.96645 6.8464 -0.0435212 ] [ 4.05575 6.85317 2.31994 ] [ 4.07639 6.7929 5.46762 ] [ 3.90254 6.79284 7.72497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.26915e-11 2.79141e-12 1.78709e-13 ] [ 5.21394e-13 -1.20898e-13 2.6198800000000003e-10 ] [ 1.11086e-11 -4.41851e-13 5.39688e-10 ] [ -8.11775e-13 9.88404e-13 7.76446e-10 ] [ -1.26892e-10 2.00974e-10 -1.28773e-11 ] [ -1.51778e-10 2.36617e-10 2.46995e-10 ] [ -1.29504e-10 2.30049e-10 5.2473e-10 ] [ -1.5822200000000001e-10 2.2233500000000001e-10 7.67671e-10 ] [ -2.57393e-10 4.57709e-10 3.03636e-11 ] [ -2.71158e-10 4.50657e-10 2.20402e-10 ] [ -2.2976600000000002e-10 4.85067e-10 5.36604e-10 ] [ -2.53013e-10 5.02991e-10 7.91092e-10 ] [ -4.04953e-10 6.958300000000001e-10 -2.9026600000000004e-11 ] [ -3.9201100000000003e-10 6.89235e-10 2.29412e-10 ] [ -3.9402400000000003e-10 6.80767e-10 5.1746e-10 ] [ -4.0205900000000005e-10 6.917169999999999e-10 8.225149999999999e-10 ] [ 2.5502699999999997e-10 1.07665e-12 1.37903e-11 ] [ 2.73854e-10 7.58287e-12 2.41415e-10 ] [ 2.88705e-10 4.28661e-11 5.258330000000001e-10 ] [ 2.96792e-10 1.98107e-11 8.129e-10 ] [ 1.17194e-10 2.3249000000000002e-10 2.41827e-11 ] [ 1.411e-10 2.209e-10 2.91902e-10 ] [ 1.2891e-10 1.9471400000000003e-10 4.88894e-10 ] [ 1.29288e-10 2.19289e-10 7.8659e-10 ] [ 6.39291e-13 4.772160000000001e-10 2.3414800000000002e-12 ] [ -2.13263e-12 4.6438e-10 2.62467e-10 ] [ -2.36535e-11 4.59722e-10 5.02665e-10 ] [ 1.98478e-12 4.59769e-10 7.818450000000001e-10 ] [ -1.31921e-10 6.83806e-10 6.64341e-12 ] [ -1.28766e-10 6.8641e-10 2.7510400000000005e-10 ] [ -1.23014e-10 7.04914e-10 5.085880000000001e-10 ] [ -1.40792e-10 7.24847e-10 7.990660000000001e-10 ] [ 5.56053e-10 3.85699e-12 2.41581e-11 ] [ 5.158350000000001e-10 2.16277e-11 2.54291e-10 ] [ 5.29544e-10 7.50747e-14 5.094520000000001e-10 ] [ 5.36985e-10 6.994870000000001e-12 7.976440000000001e-10 ] [ 4.01598e-10 2.01186e-10 -2.60287e-11 ] [ 4.01533e-10 2.2467100000000002e-10 2.4866899999999997e-10 ] [ 3.98846e-10 2.29098e-10 4.91301e-10 ] [ 4.1082700000000004e-10 2.2963200000000003e-10 7.852420000000001e-10 ] [ 2.5674700000000004e-10 4.49522e-10 -1.38841e-11 ] [ 2.86035e-10 4.53832e-10 2.45489e-10 ] [ 2.6867200000000003e-10 4.966760000000001e-10 5.26116e-10 ] [ 2.68347e-10 4.4963e-10 7.378490000000001e-10 ] [ 1.3187700000000001e-10 6.832130000000001e-10 4.10508e-12 ] [ 1.66677e-10 6.553300000000001e-10 2.5282800000000003e-10 ] [ 1.32642e-10 6.86023e-10 5.179560000000001e-10 ] [ 1.00003e-10 7.08995e-10 7.7783e-10 ] [ 7.896200000000001e-10 1.96713e-12 3.22052e-11 ] [ 7.877500000000001e-10 -2.59473e-11 2.7509800000000005e-10 ] [ 7.639700000000001e-10 3.5930700000000006e-12 5.053759999999999e-10 ] [ 7.97203e-10 5.67385e-12 7.898950000000001e-10 ] [ 6.56802e-10 2.2716500000000004e-10 -1.44672e-11 ] [ 6.42437e-10 2.2899e-10 2.4154100000000003e-10 ] [ 6.57384e-10 2.26553e-10 5.048120000000001e-10 ] [ 6.62454e-10 2.30565e-10 7.764090000000001e-10 ] [ 5.087100000000001e-10 4.70438e-10 -4.1877700000000005e-11 ] [ 5.466750000000001e-10 4.4367400000000006e-10 2.45804e-10 ] [ 5.64549e-10 4.39342e-10 5.3916e-10 ] [ 5.30187e-10 4.59667e-10 7.61215e-10 ] [ 3.9664500000000003e-10 6.8464e-10 -4.352120000000001e-12 ] [ 4.0557499999999997e-10 6.85317e-10 2.31994e-10 ] [ 4.07639e-10 6.7929e-10 5.46762e-10 ] [ 3.90254e-10 6.79284e-10 7.72497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.384305 -4.5953555 3.1773114 ] [ -7.9639876 -6.502899 6.4888985 ] [ -7.2164797 -10.6677267 -3.5426313 ] [ -5.1754745 -4.7782234 -4.4993809 ] [ -4.571576 1.290957 0.248839 ] [ -1.0253994 -6.1486011 5.3482721 ] [ -4.9067577 -4.4213195 -2.6779795 ] [ 0.0909195 1.899712 -3.1149794 ] [ -3.6482232 -4.9101369 -9.0385049 ] [ -4.3281091 0.09814919999999984 16.7030483 ] [ -11.7843053 -4.0475642 -2.1309846 ] [ -2.0784063 -8.3356212 -4.1765848 ] [ -2.4738532 0.40774669999999985 14.8975813 ] [ -6.0608209 0.7363862999999999 9.5703613 ] [ -4.7433354 4.4128682 -3.3087164 ] [ -6.9149719 1.3488533000000003 -20.8834466 ] [ 0.0833798 -4.0381019 4.1352603 ] [ -6.3884592 -9.8507259 7.5850365 ] [ -6.2260664 -14.4300227 4.6459461 ] [ -8.7986885 -3.7387436 -11.3331989 ] [ -1.5602555 4.5638176 2.485755 ] [ -6.5476779 4.6416528 -5.3869106 ] [ -6.3678185 6.3880599 10.1948515 ] [ -4.0227026 3.1208058 -6.5863683 ] [ -0.0609512 -5.9731357 -0.1964483 ] [ 0.5624878 -3.7328768 1.7039457 ] [ 7.2481726 -4.108705 2.2637912 ] [ -0.25921 -3.7099475 -4.6229607 ] [ 0.2452045 2.9161399 5.9288227 ] [ -1.6535474 2.4282926 1.4528615 ] [ -5.2559994 4.1119896 3.1005009 ] [ -1.9324633 -2.5302422 -10.8007212 ] [ 0.7994293 -7.470797 0.5791785 ] [ 5.1232001 -11.7427997 4.7451877 ] [ 1.4588327 -5.5286058 2.9404986 ] [ 5.1782885 -3.2852713 -6.7500667 ] [ -1.6622704 7.2698891 6.411395 ] [ -3.1100041 7.8294708 -1.26248 ] [ 0.0505986 10.2692267 4.3103207 ] [ -3.9815384 4.3863014 -11.1255972 ] [ -0.2397001 -0.5222027 -0.7210443 ] [ 1.5123595 -0.37445420000000007 4.7030061 ] [ 0.0343654 -5.1833122 -8.3855265 ] [ -5.3914191 -1.2162782 1.241521 ] [ 3.716761 3.9723529 -0.3938218 ] [ -2.2215398 6.161682 4.9884961 ] [ 1.874269 3.7075984 -0.9031754 ] [ 6.8844928 -2.3170464 -5.0205425 ] [ 10.4249339 -2.1542354 0.1749863 ] [ 8.2809955 0.22475829999999997 4.0126809 ] [ 13.7152933 -2.5509992 3.3809397 ] [ 6.854395 -5.0054868 -5.194708 ] [ 8.9043073 7.6900318 0.7734931 ] [ 12.3602126 2.4463961 3.6762737 ] [ 10.7532193 4.0467167 -0.1109355 ] [ 8.6805311 3.939529 -7.7193513 ] [ 5.0349039 -0.7679449000000002 7.3910126 ] [ 2.0337524 10.6800523 5.2138318 ] [ 3.5411628 7.7974787 -8.720162 ] [ 4.956678 3.2667363 -4.7622386 ] [ 1.4849449 8.0380849 0.215655 ] [ 9.7977967 4.8080111 10.030966 ] [ 8.3197695 10.7047841 -10.0916454 ] [ -0.0493401 9.0348511 -1.2594145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.8239667465329368e-08 -7.362571207023387e-09 5.090614084021827e-09 ] [ -1.2759714846185739e-08 -1.0418792831061966e-08 1.039636155709765e-08 ] [ -1.156207515507533e-08 -1.7091582456637928e-08 -5.675921091737044e-09 ] [ -8.292024313762833e-09 -7.655557883512036e-09 -7.208802945445891e-09 ] [ -7.324472247755185e-09 2.068341140898738e-09 3.98684031427926e-10 ] [ -1.6428709591976196e-09 -9.851145014206696e-09 8.568876590894112e-09 ] [ -7.861492535639581e-09 -7.083734794348563e-09 -4.2905961812310036e-09 ] [ 1.45669098474963e-10 3.043674177729408e-09 -4.9907472100713395e-09 ] [ -5.845097966656709e-09 -7.866906610921195e-09 -1.4481281357074505e-08 ] [ -6.934395269422769e-09 1.5725235488579254e-10 2.6761233702833422e-08 ] [ -1.888053859958236e-08 -6.484912785854903e-09 -3.4142137335338366e-09 ] [ -3.3299740098183943e-09 -1.3355137516515042e-08 -6.691626576479562e-09 ] [ -3.963549792986129e-09 6.532822353306075e-10 2.3868556661975344e-08 ] [ -9.710505628838851e-09 1.1798209234577141e-09 1.5333409253797865e-08 ] [ -7.599661145105043e-09 7.070194318961639e-09 -5.301148104612597e-09 ] [ -1.1079006402946584e-08 2.1611012399537925e-09 -3.3458970179906746e-08 ] [ 1.335891673075932e-10 -6.469752509891005e-09 6.62541742816783e-09 ] [ -1.0235440057502332e-08 -1.5782602864918622e-08 1.215256824833714e-08 ] [ -9.975258107812497e-09 -2.3119445198029593e-08 7.443626284243427e-09 ] [ -1.4097053124544511e-08 -5.9901276364370425e-09 -1.8157786466054502e-08 ] [ -2.499804905169987e-09 7.312041920557958e-09 3.98261857884867e-09 ] [ -1.0490536538338189e-08 7.436747659300675e-09 -8.63078229276692e-09 ] [ -1.020237001025293e-08 1.0234800308372376e-08 1.6333952860399852e-08 ] [ -6.4450801112510475e-09 5.000082132011677e-09 -1.0552525393178302e-08 ] [ -9.765458845426079e-11 -9.570018450251234e-09 -3.147448760490222e-10 ] [ 9.012048100700652e-10 -5.980727986560692e-09 2.730021986144774e-09 ] [ 1.1612852778919028e-08 -6.582871146998969e-09 3.6269933648948208e-09 ] [ -4.1530020529914e-10 -5.943991197866715e-09 -7.406799613440284e-09 ] [ 3.92860920451653e-10 4.672171209255097e-09 9.499021197068791e-09 ] [ -2.6492750074914516e-09 3.890553664235108e-09 2.327740747738191e-09 ] [ -8.42103942699802e-09 6.588133656371007e-09 4.967550095675971e-09 ] [ -3.0961475453225322e-09 -4.053894931200755e-09 -1.7304663136988442e-08 ] [ 1.2808269449949763e-09 -1.1969536390757299e-08 9.279462596151691e-10 ] [ 8.208271491526463e-09 -1.881403929708221e-08 7.602628856884201e-09 ] [ 2.337307664855132e-09 -8.857803031356878e-09 4.711198149229712e-09 ] [ 8.296532838810909e-09 -5.263584913210804e-09 -1.0814799144681488e-08 ] [ -2.6632507942698334e-09 1.164764644779129e-08 1.027218726034443e-08 ] [ -4.982775900664199e-09 1.2544195172345288e-08 -2.02271595689232e-09 ] [ 8.10678946331124e-11 1.6453115067988928e-08 6.905895110586524e-09 ] [ -6.379127791853746e-09 7.027629612761487e-09 -1.7825171873135823e-08 ] [ -3.840418993874634e-10 -8.366609641517118e-10 -1.1552403295388862e-09 ] [ 2.423067053107923e-09 -5.999417697431629e-10 7.535046482979466e-09 ] [ 5.5059440898063595e-11 -8.304581693567133e-09 -1.34350946220878e-08 ] [ -8.63800570612131e-09 -1.948692512483579e-09 1.989135936820314e-09 ] [ 5.954907628362474e-09 6.364410998382139e-09 -6.309720859198212e-10 ] [ -3.5592991590610333e-09 9.872102926538388e-09 7.992451890220128e-09 ] [ 3.002909997630546e-09 5.940227524735786e-09 -1.4470465222836036e-09 ] [ 1.1030173501101236e-08 -3.712317601973818e-09 -8.043795883503946e-09 ] [ 1.6702585505574492e-08 -3.4514656220156437e-09 2.8035896113011423e-10 ] [ 1.3267617496359147e-08 3.6010249655756215e-10 6.429023577678091e-09 ] [ 2.1974322453716754e-08 -4.087151311592693e-09 5.4168625883029695e-09 ] [ 1.098195150920643e-08 -8.019673992755432e-09 -8.322839778052873e-09 ] [ 1.4266273098015626e-08 1.2320789264676962e-08 1.2392725713802254e-09 ] [ 1.9803243818992388e-08 3.919558668928727e-09 5.890039822328725e-09 ] [ 1.7228556702737836e-08 6.483554941157588e-09 -1.77738265981107e-10 ] [ 1.3907744099130316e-08 6.311821312765386e-09 -1.2367764282497523e-08 ] [ 8.066805383015472e-09 -1.2303833749794668e-09 1.1841707689319588e-08 ] [ 3.258430574621422e-09 1.7111330244957957e-08 8.353479483566162e-09 ] [ 5.6735682953500155e-09 1.2492938177252695e-08 -1.3971239801094708e-08 ] [ 7.941473673861852e-09 5.233888569299614e-09 -7.629947410452872e-09 ] [ 2.3791440215574664e-09 1.2878431808888226e-08 3.4551740200527e-10 ] [ 1.5697800937422306e-08 7.703283040432637e-09 1.6071379341648444e-08 ] [ 1.3329740293165863e-08 1.715095495703472e-08 -1.6168598458493586e-08 ] [ -7.90515553392234e-11 1.4475427324089196e-08 -2.017804484420793e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2924.1106 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.68494167855172e-16 } }