{ "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" [ 10.7433999 0 0 ] "si-unit" "m" "si-value" [ 1.07433999e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7433999 0 ] "si-unit" "m" "si-value" [ 0.0 1.07433999e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7433999 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07433999e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.7729719 1.9969119 1.3471949 ] [ 3.4444549 4.108199900000001 2.3119239 ] [ 5.076294900000001 4.7134529 0.6245501 ] [ 2.2125089 2.5748289 5.1133239 ] [ 1.0446889 0.9121604 3.7832589 ] [ 3.5478219 1.4077169 6.6765029 ] [ 0.1433706 3.3185439 5.9532289 ] [ 2.9122509 4.848775900000001 5.6739109 ] [ 4.2125189 5.0943179 7.6850239 ] [ 2.4944709 1.7080079 8.8528579 ] [ 0.9651409 1.4588389 10.6910099 ] [ 4.2311379 2.5648719 10.3749599 ] [ 1.1554879 5.1395839 10.5859799 ] [ 2.8193769 4.0515169 9.2533599 ] [ 1.4900869 7.3898979 0.6845395000000001 ] [ 3.7683969 6.7835219 0.6015337000000001 ] [ 1.5270309 9.8339389 0.3022891 ] [ 3.3569379 10.4284399 1.6152109 ] [ 4.8116119 8.5489429 1.7208929 ] [ 1.4715699 7.3445329 3.0327359 ] [ 3.3613329 6.0553809 3.6836279 ] [ 2.1006099 9.5918569 3.4377879 ] [ 0.6920094 5.5735989 6.0702189 ] [ 5.0507179 7.7180039 6.0898899 ] [ 2.7005229 8.0018979 6.1190599 ] [ 0.9269936000000001 9.366404900000001 5.4747779 ] [ 4.0233879 9.9191729 5.9104979 ] [ 2.0277999 7.7359419 8.3204109 ] [ 0.370966 5.8863599 8.4368129 ] [ 4.1426719 7.0846459 9.0576049 ] [ 2.4153439 10.0016199 8.894827900000001 ] [ 4.6815259 9.3779889 8.996272900000001 ] [ 6.5723009 1.4427769 1.9320619 ] [ 8.8923929 1.8357549 1.6829309 ] [ 5.7042889 3.5773439 2.6315819 ] [ 10.5046499 3.3923329 0.7632844000000001 ] [ 9.4341159 0.5809774000000001 3.6114269 ] [ 6.4266239 5.2594649 4.0955299 ] [ 8.980920900000001 2.7069539 4.7398489 ] [ 5.4260729 2.4266069 5.5907789 ] [ 6.8357889 0.5630398 5.687283900000001 ] [ 9.1094269 0.6954044 5.9702899 ] [ 8.8448639 1.9092059 7.957671900000001 ] [ 7.257223900000001 3.9299259 5.8834009 ] [ 5.8361549 3.3592499 7.7267729 ] [ 6.7342579 0.5312712 10.5220099 ] [ 7.2749319 2.6230809 9.5052749 ] [ 10.6161799 3.4071239 8.2529239 ] [ 8.5597189 4.3472879 10.4893399 ] [ 8.9065789 5.0921349 8.3128999 ] [ 7.2095859 6.0039939 0.7262439 ] [ 8.901741900000001 10.6197799 0.4203008 ] [ 5.3841299 7.4135119 3.7855189 ] [ 8.221917900000001 6.0326959 2.8369929 ] [ 10.5912499 7.4028229 4.781726900000001 ] [ 7.6696679 8.1732539 3.7116739 ] [ 7.1660519 10.5108299 3.5127149 ] [ 6.034706900000001 9.5744799 7.0892909 ] [ 9.6984259 8.6109999 8.0041559 ] [ 8.690546900000001 8.2866669 5.8725139 ] [ 7.8631769 7.230091900000001 8.3655779 ] [ 8.2891279 7.8469369 10.5282099 ] [ 6.2462669 8.9743659 10.6799299 ] [ 9.7178419 10.7502399 8.992828900000001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7729719e-10 1.9969119e-10 1.3471949e-10 ] [ 3.4444549000000006e-10 4.108199900000001e-10 2.3119239e-10 ] [ 5.0762949e-10 4.7134529e-10 6.245501e-11 ] [ 2.2125089e-10 2.5748289000000003e-10 5.1133239e-10 ] [ 1.0446889e-10 9.121604e-11 3.7832589e-10 ] [ 3.5478219e-10 1.4077169e-10 6.6765029e-10 ] [ 1.433706e-11 3.3185439e-10 5.9532289e-10 ] [ 2.9122509000000003e-10 4.848775900000001e-10 5.6739109e-10 ] [ 4.2125189e-10 5.0943179e-10 7.6850239e-10 ] [ 2.4944709e-10 1.7080079e-10 8.8528579e-10 ] [ 9.651409e-11 1.4588389e-10 1.06910099e-09 ] [ 4.2311379000000003e-10 2.5648719e-10 1.0374959900000001e-09 ] [ 1.1554879e-10 5.1395839e-10 1.05859799e-09 ] [ 2.8193769e-10 4.0515169e-10 9.2533599e-10 ] [ 1.4900869000000002e-10 7.3898979e-10 6.845395000000001e-11 ] [ 3.7683969000000003e-10 6.783521900000001e-10 6.015337000000001e-11 ] [ 1.5270309000000001e-10 9.8339389e-10 3.022891e-11 ] [ 3.3569379000000004e-10 1.04284399e-09 1.6152109e-10 ] [ 4.8116119e-10 8.5489429e-10 1.7208929000000001e-10 ] [ 1.4715699e-10 7.344532900000001e-10 3.0327359e-10 ] [ 3.3613329e-10 6.0553809e-10 3.6836279e-10 ] [ 2.1006098999999999e-10 9.591856900000001e-10 3.4377879e-10 ] [ 6.920094e-11 5.573598900000001e-10 6.070218900000001e-10 ] [ 5.050717900000001e-10 7.7180039e-10 6.0898899e-10 ] [ 2.7005229000000003e-10 8.0018979e-10 6.1190599e-10 ] [ 9.269936e-11 9.3664049e-10 5.4747779e-10 ] [ 4.0233879000000007e-10 9.9191729e-10 5.9104979e-10 ] [ 2.0277999000000003e-10 7.735941900000001e-10 8.3204109e-10 ] [ 3.70966e-11 5.886359900000001e-10 8.4368129e-10 ] [ 4.1426719e-10 7.0846459e-10 9.0576049e-10 ] [ 2.4153439e-10 1.00016199e-09 8.894827900000001e-10 ] [ 4.681525899999999e-10 9.3779889e-10 8.996272900000002e-10 ] [ 6.5723009e-10 1.4427769e-10 1.9320619e-10 ] [ 8.892392900000001e-10 1.8357549e-10 1.6829309e-10 ] [ 5.7042889e-10 3.5773439e-10 2.6315819e-10 ] [ 1.05046499e-09 3.3923329e-10 7.632844000000001e-11 ] [ 9.4341159e-10 5.809774000000001e-11 3.6114269000000005e-10 ] [ 6.4266239e-10 5.2594649e-10 4.0955299e-10 ] [ 8.980920900000002e-10 2.7069539e-10 4.7398489e-10 ] [ 5.426072900000001e-10 2.4266069e-10 5.5907789e-10 ] [ 6.8357889e-10 5.630398e-11 5.687283900000001e-10 ] [ 9.109426900000002e-10 6.954044000000001e-11 5.9702899e-10 ] [ 8.844863900000001e-10 1.9092059e-10 7.957671900000001e-10 ] [ 7.257223900000002e-10 3.9299259e-10 5.8834009e-10 ] [ 5.836154900000001e-10 3.3592499e-10 7.726772900000001e-10 ] [ 6.734257900000001e-10 5.3127120000000006e-11 1.05220099e-09 ] [ 7.274931900000001e-10 2.6230809e-10 9.5052749e-10 ] [ 1.06161799e-09 3.4071239000000005e-10 8.252923900000002e-10 ] [ 8.5597189e-10 4.3472879000000005e-10 1.04893399e-09 ] [ 8.9065789e-10 5.0921349e-10 8.3128999e-10 ] [ 7.209585900000001e-10 6.003993900000001e-10 7.262439e-11 ] [ 8.901741900000001e-10 1.06197799e-09 4.203008e-11 ] [ 5.3841299e-10 7.4135119e-10 3.7855189e-10 ] [ 8.221917900000001e-10 6.032695900000001e-10 2.8369929e-10 ] [ 1.05912499e-09 7.4028229e-10 4.781726900000001e-10 ] [ 7.669667900000001e-10 8.1732539e-10 3.7116739000000003e-10 ] [ 7.1660519e-10 1.05108299e-09 3.5127149000000004e-10 ] [ 6.034706900000001e-10 9.5744799e-10 7.0892909e-10 ] [ 9.6984259e-10 8.6109999e-10 8.004155900000001e-10 ] [ 8.690546900000001e-10 8.2866669e-10 5.872513900000001e-10 ] [ 7.863176900000001e-10 7.230091900000001e-10 8.3655779e-10 ] [ 8.289127900000001e-10 7.8469369e-10 1.0528209900000002e-09 ] [ 6.246266900000001e-10 8.974365900000001e-10 1.06799299e-09 ] [ 9.7178419e-10 1.07502399e-09 8.992828900000002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.0591374 0.1481405 0.9600116 ] [ 0.1479394 0.0322687 0.4449439 ] [ -0.6374276 0.3446786 -0.338176 ] [ -0.0461061 -0.2075872 0.3249959 ] [ 0.2750284 -0.2318249 -0.5552494 ] [ 0.0411184 0.1276544 -0.4374044 ] [ -0.0253195 0.1530222 -0.1788731 ] [ 0.3086523 0.5214009 -0.5830167 ] [ -0.0441287 0.4268752 -0.3311807 ] [ -0.5467785 0.6413622 -0.7280474 ] [ -0.8603556 0.3979839 -0.8192682 ] [ 1.159019 -0.2052987 -0.0617314 ] [ 0.0574899 0.2592263 -0.5470454 ] [ -0.2536214 -0.4131337 0.2781805 ] [ -0.3009354 -0.5446897 0.5322267 ] [ 0.6976702 -0.4914623 -0.7509915 ] [ -0.5462443 -0.5180131 -0.7664369 ] [ -0.4377577 -0.2485165 1.081351 ] [ 0.4654004 -0.0828978 0.1803336 ] [ -0.0201242 -0.031495 -0.312284 ] [ -0.3709233 -0.3662103 0.5277952 ] [ 1.0176103 0.2404304 0.3650991 ] [ 0.323285 0.293648 0.1383 ] [ 0.116788 -0.4150803 -0.5428775 ] [ -0.1197582 0.0820953 0.6678103 ] [ -0.7180811 0.8187533 0.3930307 ] [ -0.7916176 0.4302723 -0.8649271 ] [ -1.3833842 -0.3378096 -0.6434854 ] [ -0.5318103 1.0657711 0.0157012 ] [ -0.0272812 -0.2904317 0.2092622 ] [ 0.1538982 0.0898081 0.5570884 ] [ 1.6324057 0.4351324 0.2033067 ] [ -0.5137146 0.4237218 0.2189098 ] [ 0.6601338 0.4088629 1.0338619 ] [ -0.4551554 -0.0509724 0.3037867 ] [ -0.1385619 0.0575075 0.0631007 ] [ 0.589898 0.7342655 -0.3438661 ] [ 0.5099843 -0.6575754 -0.2819063 ] [ 0.8257628 0.3842396 -0.3814964 ] [ 0.1270779 -0.3769986 0.0212479 ] [ -1.2520696 -0.6529471 0.3221338 ] [ 0.0065591 -1.2268947 0.1720709 ] [ 0.6416917 -0.9072327 0.8124954 ] [ 0.3598717 1.1916734 0.3355609 ] [ -0.3528637 0.3344459 -0.1718683 ] [ -0.5066513 0.6368807 0.2179188 ] [ -1.462572 -0.460647 -0.4475191 ] [ 1.1918944 -0.936229 -0.2847141 ] [ -0.670673 -0.1795636 0.1951054 ] [ -0.5997966 0.4555268 -0.8882234 ] [ 0.5768915 -1.0485179 0.5841822 ] [ 0.6115128 -0.9635352 -0.8093655 ] [ -0.0886507 -0.1232153 0.5999352 ] [ 0.0278824 0.3307175 -0.2110956 ] [ -0.7962869 -0.9358366 -0.151233 ] [ -0.0838941 0.3834266 0.1487206 ] [ -0.3209774 -0.5344395 0.3343734 ] [ 0.6622401 -0.6134481 -0.1356882 ] [ 1.2682947 -0.857776 -0.1549761 ] [ 0.0617445 1.4681377 0.1071145 ] [ 0.1343893 0.0777876 -0.782873 ] [ -0.5572966 0.501625 0.0577905 ] [ 0.0445518 0.582231 0.337181 ] [ 0.7049951 0.4307069 0.7608935 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.47485604755116e-11 2.3734724764907703e-10 1.5381081538889543e-09 ] [ 2.370250499279796e-10 5.170015714955579e-11 7.128787200208327e-10 ] [ -1.0212716065866984e-09 5.522359991598324e-10 -5.41817685379584e-10 ] [ -7.38701161048674e-11 -3.325913613574848e-10 5.207008371258006e-10 ] [ 4.406440761664056e-10 -3.714244379593866e-10 -8.896076147225196e-10 ] [ 6.58789397074656e-11 2.045248969072896e-10 -7.007991092887897e-10 ] [ -4.0566311284563e-11 2.451685933232748e-10 -2.865863012711454e-10 ] [ 4.945155030903582e-10 8.353763389265705e-10 -9.340957339717879e-10 ] [ -7.07019720287958e-11 6.839294710740768e-10 -5.306099791717638e-10 ] [ -8.760357366735689e-10 1.0275755307708347e-09 -1.1664605327244517e-09 ] [ -1.3784416392510503e-09 6.376405052881926e-10 -1.3126123670192388e-09 ] [ 1.856953160162046e-09 -3.289247801305758e-10 -9.89046066641076e-11 ] [ 9.21089744709966e-11 4.1532632077827423e-10 -8.764633576171836e-10 ] [ -4.063462809623676e-10 -6.619131608579657e-10 4.45694297134437e-10 ] [ -4.821516662234437e-10 -8.726891101204698e-10 8.527211827309279e-10 ] [ 1.1177908926781068e-09 -7.874094135518983e-10 -1.203221033632611e-09 ] [ -8.751798539156862e-10 -8.299484849259054e-10 -1.2279672926153945e-09 ] [ -7.013651582935818e-10 -3.98167329463461e-10 1.7325153053525338e-09 ] [ 7.456536463342536e-10 -1.328169181700052e-10 2.8892628024510243e-10 ] [ -3.22425230179428e-11 -5.046055308783e-11 -5.003341279720561e-10 ] [ -5.942846442661723e-10 -5.867335857901302e-10 8.456211369773569e-10 ] [ 1.6303914451777304e-09 3.852119689832736e-10 5.849532471144294e-10 ] [ 5.1795967312269e-10 4.704759642208321e-10 2.215810284822e-10 ] [ 1.8711500473159202e-10 -6.650319578937103e-10 -8.69785645624335e-10 ] [ -1.9187378976989878e-10 1.315311714212202e-10 1.0699500586045302e-09 ] [ -1.1504927597370175e-09 1.3117874062703923e-09 6.297046039846639e-10 ] [ -1.2683112217831584e-09 6.893722253174382e-10 -1.3857659897333813e-09 ] [ -2.216425841084783e-09 -5.412306478608863e-10 -1.0309772722001436e-09 ] [ -8.520540363805302e-10 1.7075535536124775e-09 2.51560957657608e-11 ] [ -4.3709301187480797e-11 -4.6532288351289783e-10 3.352750072194348e-10 ] [ 2.465721000546588e-10 1.438884393639354e-10 8.925540175524457e-10 ] [ 2.615402269748414e-09 6.971589639763416e-10 3.257332442756478e-10 ] [ -8.230615286646564e-10 6.788771672764211e-10 3.507321665136132e-10 ] [ 1.0576509496736291e-09 6.550705848894786e-10 1.6564293789628445e-09 ] [ -7.292393467189235e-10 -8.166678825890161e-11 4.867199524599679e-10 ] [ -2.2200063854264457e-10 9.2137172779755e-11 1.0109846712904379e-10 ] [ 9.45120792043332e-10 1.176423027252327e-09 -5.509342306447074e-10 ] [ 8.170849291668461e-10 -1.0535519409732037e-09 -4.516636868373942e-10 ] [ 1.3230178633864152e-09 6.156197089775065e-10 -6.112246180351176e-10 ] [ 2.036012420777886e-10 -6.040183479707124e-10 3.40428889015686e-11 ] [ -2.0060366572617264e-09 -1.0461365868580613e-09 5.161152473816293e-10 ] [ 1.05088367600694e-11 -1.9657020207184397e-09 2.756879753713506e-10 ] [ 1.0281034479717377e-09 -1.4535470335407317e-09 1.3017611451124836e-09 ] [ 5.765780289778578e-10 1.9092712768393357e-09 5.376278332640106e-10 ] [ -5.653499751267858e-10 5.358414063171006e-10 -2.753633743853022e-10 ] [ -8.117448744457242e-10 1.0203953761855637e-09 3.4914440946931917e-10 ] [ -2.343298683942648e-09 -7.380378599221979e-10 -7.170046452887094e-10 ] [ 1.9096253578754496e-09 -1.500004227873186e-09 -4.5616227839033944e-10 ] [ -1.074536609654682e-09 -2.8769260423692236e-10 3.1259331304722363e-10 ] [ -9.609800976726444e-10 7.298343951207912e-10 -1.4230907772520355e-09 ] [ 9.24282081653211e-10 -1.6799108797107486e-09 9.359630708387148e-10 ] [ 9.797515195519152e-10 -1.5437535834765169e-09 -1.296746492465727e-09 ] [ -1.420340801277438e-10 -1.974126746113002e-10 9.612021593541168e-10 ] [ 4.46725297798416e-11 5.29867850954895e-10 -3.382124378602104e-10 ] [ -1.2757922651402946e-09 -1.4993755337620044e-09 -2.42301978889722e-10 ] [ -1.344131667504594e-10 6.143171393740645e-10 2.382766703144604e-10 ] [ -5.142624903220716e-10 -8.562664791866429e-10 5.357252485111356e-10 ] [ 1.0610256143178233e-09 -9.828522119916955e-10 -2.173964635495188e-10 ] [ 2.0320321333660397e-09 -1.374308664405984e-09 -2.4829908624844743e-10 ] [ 9.8925595178013e-11 2.352215918434502e-09 1.71616349062593e-10 ] [ 2.153153963196162e-10 1.246294751349384e-10 -1.254300827989482e-09 ] [ -8.928875907276444e-10 8.0369185403025e-10 9.2590588767177e-11 ] [ 7.13798529626412e-11 9.328369037904541e-10 5.40223519628754e-10 ] [ 1.1295266763044933e-09 6.900685312825746e-10 1.219085786662479e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -254.74997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.081544494462009e-17 } }