{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07433999e-09 0.0 0.0 ] "source-value" [ 10.7433999 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 1.07433999e-09 0.0 ] "source-value" [ 0 10.7433999 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 0.0 1.07433999e-09 ] "source-value" [ 0 0 10.7433999 ] } "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" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.7582095375954113e-09 -5.216755970919495e-10 -1.4822666783637485e-08 ] [ 1.5043156407580036e-08 2.0507223079944922e-09 9.181534280283591e-10 ] [ -5.7420127531942565e-09 -7.067468637844473e-10 1.533725371048837e-08 ] [ -5.79330355379125e-09 -5.636991838095099e-09 1.2984342466779856e-08 ] [ -3.4152035301211697e-09 -8.491678203306265e-09 2.493877792383627e-09 ] [ -3.595635854625804e-09 2.5272341483227104e-09 -1.1812890041968202e-08 ] [ 2.3854235730037573e-09 2.403924066661797e-09 -1.8239692949882478e-09 ] [ -4.3343134575921465e-09 8.273826883605186e-09 -2.295282552834956e-09 ] [ -6.846539376637176e-09 -1.1407661122328984e-08 5.260136184668951e-09 ] [ -1.0122982875725396e-09 1.94978117544254e-09 4.334694935845559e-09 ] [ 1.547518557642603e-08 1.1232455738832049e-08 3.351079935662216e-09 ] [ -1.9693841268333523e-08 4.500194012938364e-09 2.5519993127857403e-09 ] [ -2.485280352418752e-10 -2.601319596356813e-09 -1.254093031369607e-08 ] [ 5.822117418575042e-09 -5.439934688102397e-09 2.837487640057527e-09 ] [ 1.1604801104852982e-08 -1.106995673746169e-08 1.2094848133273719e-08 ] [ -9.4078192974989e-10 8.896001412501746e-09 -6.211582362224548e-09 ] [ 1.663976482375211e-08 5.708405977049341e-09 -6.813237654920861e-09 ] [ -1.2309055622686112e-08 -8.454452751045613e-09 4.368576485280941e-10 ] [ -3.3263234229529385e-09 -3.264566724015892e-09 -6.95422679428633e-09 ] [ 6.884586425068975e-09 4.309149190932876e-09 -1.1270817454752173e-09 ] [ -8.100284399222979e-09 -8.31100635339682e-09 1.844567838931225e-09 ] [ -8.527518573878238e-09 5.426537767852253e-09 -1.204203798858722e-09 ] [ 4.158339029317227e-09 -1.739557177762441e-09 7.014922051212096e-10 ] [ -1.413920707638338e-09 6.76418861985169e-09 -1.2012092025803171e-08 ] [ 4.171247445915689e-09 1.1315746332423295e-08 7.011585678616943e-09 ] [ 6.130504214328964e-09 -1.3618138223577727e-08 -8.300969037302834e-09 ] [ -2.773794230021257e-09 4.489096055921407e-09 8.534277355953082e-09 ] [ 1.2650823447899078e-08 5.2528376292905584e-09 -4.874367462483631e-09 ] [ -5.996491913276431e-09 -9.19911880956752e-09 3.5772358174418886e-10 ] [ -9.788393602861924e-09 6.042064385296127e-11 4.335054624496929e-09 ] [ 5.598150270277045e-09 -6.667837402883006e-09 1.3252025484829367e-08 ] [ -1.2121981795435278e-09 -4.662774084445734e-09 -1.98771270693998e-09 ] [ 8.58802797831599e-09 -9.094981494874734e-10 1.126069970939182e-09 ] [ 1.8137916282222778e-09 -1.1538227622123162e-08 1.1340271811263854e-09 ] [ -7.119180009804429e-09 6.8618597099205885e-09 -6.850747333314044e-09 ] [ -5.734175065382964e-09 -1.4880391605108288e-09 -1.1342381076785137e-08 ] [ 3.1681467736701755e-09 1.017044543550465e-08 7.330855259067648e-10 ] [ 6.825946280094708e-09 -6.220330887444765e-09 -6.2978725508852564e-09 ] [ 3.732698059093692e-09 2.1283897422997172e-09 1.5329399199822556e-08 ] [ 8.000201712904451e-09 -6.343769944323652e-09 1.6890408693439413e-08 ] [ -3.2479856379495707e-09 -1.5460965938481102e-09 -3.741138325532067e-09 ] [ -7.951696616798041e-09 9.548653185949813e-09 -5.286919130368217e-09 ] [ 4.7205682801642174e-09 -3.936397993573893e-09 6.695517407272258e-09 ] [ -8.76021870628323e-09 -6.513408885586942e-09 -9.912873113238359e-09 ] [ 1.5443625580914183e-09 5.799337350945183e-09 -8.843627059856104e-09 ] [ 5.9431743592541245e-09 4.042394474017455e-09 9.063636351247739e-09 ] [ 4.206227447642291e-09 -2.1215409178987835e-09 -7.741616815013814e-09 ] [ -1.0228416671739733e-08 -2.8009150747698494e-09 -1.1849336836391147e-08 ] [ -6.73539029618112e-10 -1.4913631963460027e-09 -4.297568017447085e-09 ] [ 1.1347030272903373e-08 6.821226267769832e-09 1.2216596893817664e-08 ] [ 1.8145649027465407e-08 -1.9608631106932896e-09 3.0103524037291357e-09 ] [ -7.571606328992161e-10 1.3256084118645179e-08 -9.697231996185672e-09 ] [ 2.487971368271048e-09 -2.1692899468578374e-09 7.584811308483132e-09 ] [ -1.912249242816094e-08 7.941535292233603e-09 -1.8729524805983042e-10 ] [ 6.67256334326138e-09 3.1620801318955165e-09 8.408901267539647e-09 ] [ -3.930653869953001e-09 -4.557767909371488e-10 7.718151015790253e-09 ] [ 5.5052861907235315e-09 2.534284526542541e-09 2.870120773469981e-09 ] [ -1.2839165397945277e-08 1.1232748136065344e-10 -6.160087284108401e-09 ] [ -1.4249131453030494e-08 8.140904062654796e-09 -3.255316877731027e-09 ] [ 1.1144769413463975e-08 -4.42837916961126e-09 -8.46804417553752e-09 ] [ 1.536419110601388e-08 -1.0227781248491922e-09 5.294599965088332e-09 ] [ -1.612430471064289e-08 -4.86237260699435e-09 -2.878964307763811e-09 ] [ -3.3898662283868526e-09 4.610569722739559e-09 9.76290649761356e-10 ] [ -9.33448975639449e-09 -8.688148956655755e-09 1.902806638661981e-09 ] ] "source-value" [ [ 1.721539 -0.3256043 -9.251581 ] [ 9.3891998 1.2799602 0.5730663 ] [ -3.5838825 -0.4411167 9.5727609 ] [ -3.6158957 -3.5183336 8.1041892 ] [ -2.1316024 -5.3000887 1.5565561 ] [ -2.2442194 1.5773755 -7.3730261 ] [ 1.4888643 1.5004114 -1.1384321 ] [ -2.7052657 5.1641166 -1.4326027 ] [ -4.2732738 -7.1201021 3.2831188 ] [ -0.6318269 1.2169577 2.7055038 ] [ 9.6588512 7.0107475 2.0915796 ] [ -12.291929 2.8088002 1.5928327 ] [ -0.155119 -1.623616 -7.8274331 ] [ 3.6338799 -3.3953402 1.7710205 ] [ 7.2431472 -6.9093236 7.5490105 ] [ -0.5871899 5.5524474 -3.8769648 ] [ 10.3857244 3.5629068 -4.2524885 ] [ -7.6827083 -5.2768544 0.2726651 ] [ -2.0761278 -2.0375823 -4.340487 ] [ 4.2970209 2.6895594 -0.7034691 ] [ -5.0557999 -5.1873222 1.1512887 ] [ -5.3224585 3.3869785 -0.7516049 ] [ 2.5954311 -1.0857462 0.437837 ] [ -0.8824999 4.2218745 -7.4973582 ] [ 2.6034879 7.0627334 4.3762876 ] [ 3.8263598 -8.4997734 -5.1810574 ] [ -1.7312662 2.8018734 5.326677 ] [ 7.896023 3.2785634 -3.0423409 ] [ -3.7427159 -5.7416384 0.2232735 ] [ -6.1094348 0.0377116 2.7057283 ] [ 3.4940906 -4.1617368 8.2712638 ] [ -0.7565946 -2.9102747 -1.2406327 ] [ 5.3602255 -0.5676641 0.7028376 ] [ 1.1320797 -7.2015953 0.7078041 ] [ -4.4434427 4.282836 -4.2759002 ] [ -3.5789906 -0.928761 -7.0793575 ] [ 1.9774017 6.3478928 0.457556 ] [ 4.2604206 -3.8824252 -3.9308229 ] [ 2.3297669 1.3284364 9.5678585 ] [ 4.9933332 -3.9594698 10.542164 ] [ -2.0272332 -0.9649976 -2.3350349 ] [ -4.9630587 5.9598006 -3.2998354 ] [ 2.946347 -2.4569064 4.1790133 ] [ -5.4676985 -4.0653501 -6.1871288 ] [ 0.9639153 3.6196617 -5.5197579 ] [ 3.7094377 2.5230642 5.6570769 ] [ 2.6253207 -1.3241617 -4.8319372 ] [ -6.3840756 -1.7481937 -7.3957744 ] [ -0.42039 -0.9308357 -2.682331 ] [ 7.0822593 4.2574746 7.6250001 ] [ 11.3256234 -1.2238745 1.8789142 ] [ -0.4725825 8.273797 -6.0525362 ] [ 1.5528696 -1.3539643 4.7340669 ] [ -11.9353211 4.9567165 -0.1169005 ] [ 4.1646865 1.9736152 5.2484234 ] [ -2.4533212 -0.2844735 4.817291 ] [ 3.4361294 1.581776 1.7913885 ] [ -8.0135768 0.0701093 -3.8448241 ] [ -8.8936084 5.0811527 -2.031809 ] [ 6.956018 -2.7639769 -5.2853375 ] [ 9.5895739 -0.6383679 3.3046294 ] [ -10.0639995 -3.0348543 -1.7969082 ] [ -2.1157881 2.8776913 0.6093527 ] [ -5.8261303 -5.4227161 1.1876385 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "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 ] ] "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 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.605994607687366e-17 "source-value" -100.2383 } }