{ "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" [ 10.7298088 0 0 ] "si-unit" "m" "si-value" [ 1.07298088e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7298088 0 ] "si-unit" "m" "si-value" [ 0.0 1.07298088e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7298088 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.07298088e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.66844886353 0.1419294 1.7363018 ] [ 3.93309853019 0.2112753 2.4546448 ] [ 5.23191968046 1.6786048 1.2144198 ] [ 2.24762363875 3.3413878 1.9420518 ] [ 0.5654290424439999 4.8578508 1.3851828 ] [ 3.47285206024 2.6977448 0.0406933 ] [ 1.02754628021 1.8214628 3.2540678 ] [ 2.98773026009 1.1381618 4.4606488 ] [ 3.64736040146 4.2978338 3.5620408 ] [ 2.03266521177 3.9271768 7.3195088 ] [ 3.51499203997 3.1477048 5.5846608 ] [ 2.0529340919 2.1088718 8.953426799999999 ] [ 0.09468003781499999 0.7732303 9.3045738 ] [ 3.26496274913 0.1784914 8.3028798 ] [ 4.866962543410001 4.5477878 10.3401388 ] [ 0.96618666239 7.2319208 1.5858908 ] [ 3.11311239598 7.886324800000001 2.4479458 ] [ 2.80630500907 8.005689799999999 0.0661633 ] [ 2.53403652737 6.2517798 4.0143838 ] [ 1.31753357864 9.1284358 3.2458628 ] [ 2.82556884401 9.5761878 5.1023788 ] [ 0.805837196418 7.800345800000001 7.2972508 ] [ 1.40540525031 5.8901958 6.0241268 ] [ 1.46919277677 10.0479188 6.8670698 ] [ 5.04755129386 9.9102298 5.8763438 ] [ 1.65366321808 5.942502800000001 10.3128588 ] [ 4.849570039 7.6443448 8.095805799999999 ] [ 5.02640388828 5.3074078 8.1344028 ] [ 1.21795252111 9.761775799999999 10.4371188 ] [ 4.52170145387 9.405146799999999 9.725752799999999 ] [ 8.120157917139998 0.09181689999999999 2.0262558 ] [ 9.530906758599999 1.2997398 0.4588587 ] [ 8.1197591932 4.2470558 1.0041018 ] [ 6.85065067175 2.9696278 2.4821318 ] [ 5.52208376879 0.6750212 4.2143298 ] [ 8.003722656879999 0.3413853 4.3873688 ] [ 7.97167389822 2.6655358 4.546196800000001 ] [ 5.88309656882 4.933828800000001 3.2544528 ] [ 10.075758853 3.4435188 3.7346038 ] [ 5.79780762041 2.5317518 5.688219800000001 ] [ 5.33231242 0.9520477999999999 7.3822398 ] [ 7.50798165249 0.09776239999999999 7.7495218 ] [ 9.581986278999999 1.1555148 7.301165800000001 ] [ 7.32137645539 4.693563800000001 7.971604800000001 ] [ 10.4785787766 3.3727618 7.0236418 ] [ 10.0067350138 5.067158800000001 5.4223188 ] [ 7.61077272993 1.1951028 9.8150078 ] [ 6.90445098869 3.4603578 9.9187028 ] [ 9.574854401309999 4.7713658 8.691779799999999 ] [ 10.0304833343 3.5524598 10.6413488 ] [ 7.63875994089 6.4815268 0.5844848 ] [ 6.74890386924 7.942141800000001 2.2596058 ] [ 5.46834733884 6.118640800000001 1.3014128 ] [ 6.32359778221 10.4976388 0.4016222 ] [ 8.999245194179998 8.6892228 2.4033408 ] [ 10.1068303358 8.4516458 0.2717152 ] [ 7.09092271404 6.7413008 4.2549348 ] [ 9.422659970529999 7.0366368 4.1416958 ] [ 6.263411171710001 7.952387799999999 6.195621800000001 ] [ 7.92617942902 8.4820248 7.7524188 ] [ 9.597402640579999 8.374361799999999 6.0845518 ] [ 10.2373680415 10.5670388 5.4768888 ] [ 6.82096550777 6.7481858 9.084289799999999 ] [ 10.5255801977 6.8837118 9.2465418 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.66844886353e-10 1.4192940000000002e-11 1.7363018e-10 ] [ 3.93309853019e-10 2.112753e-11 2.4546448e-10 ] [ 5.23191968046e-10 1.6786048e-10 1.2144198e-10 ] [ 2.24762363875e-10 3.3413878000000004e-10 1.9420518e-10 ] [ 5.6542904244399994e-11 4.857850799999999e-10 1.3851828e-10 ] [ 3.47285206024e-10 2.6977448000000004e-10 4.06933e-12 ] [ 1.02754628021e-10 1.8214628e-10 3.2540678e-10 ] [ 2.9877302600900006e-10 1.1381618e-10 4.4606488000000003e-10 ] [ 3.64736040146e-10 4.2978338000000005e-10 3.5620408000000005e-10 ] [ 2.03266521177e-10 3.9271768e-10 7.3195088e-10 ] [ 3.5149920399700003e-10 3.1477048e-10 5.5846608e-10 ] [ 2.0529340919000002e-10 2.1088718000000003e-10 8.9534268e-10 ] [ 9.468003781499999e-12 7.732303e-11 9.3045738e-10 ] [ 3.26496274913e-10 1.784914e-11 8.302879799999999e-10 ] [ 4.86696254341e-10 4.5477878e-10 1.03401388e-09 ] [ 9.6618666239e-11 7.2319208e-10 1.5858908e-10 ] [ 3.11311239598e-10 7.886324800000001e-10 2.4479457999999997e-10 ] [ 2.80630500907e-10 8.0056898e-10 6.61633e-12 ] [ 2.53403652737e-10 6.251779800000001e-10 4.0143838000000003e-10 ] [ 1.31753357864e-10 9.1284358e-10 3.2458628e-10 ] [ 2.8255688440100004e-10 9.5761878e-10 5.102378800000001e-10 ] [ 8.05837196418e-11 7.800345800000002e-10 7.2972508e-10 ] [ 1.4054052503100001e-10 5.8901958e-10 6.0241268e-10 ] [ 1.4691927767699999e-10 1.0047918800000001e-09 6.867069800000001e-10 ] [ 5.04755129386e-10 9.9102298e-10 5.8763438e-10 ] [ 1.65366321808e-10 5.942502800000001e-10 1.0312858800000001e-09 ] [ 4.849570039e-10 7.6443448e-10 8.095805799999999e-10 ] [ 5.026403888280001e-10 5.3074078e-10 8.1344028e-10 ] [ 1.21795252111e-10 9.7617758e-10 1.04371188e-09 ] [ 4.5217014538700004e-10 9.405146799999998e-10 9.725752799999998e-10 ] [ 8.120157917139998e-10 9.181689999999999e-12 2.0262558e-10 ] [ 9.5309067586e-10 1.2997398000000001e-10 4.588587e-11 ] [ 8.119759193200001e-10 4.2470558000000003e-10 1.0041017999999999e-10 ] [ 6.850650671750001e-10 2.9696278e-10 2.4821318e-10 ] [ 5.52208376879e-10 6.750212e-11 4.2143298e-10 ] [ 8.00372265688e-10 3.413853e-11 4.3873688000000004e-10 ] [ 7.97167389822e-10 2.6655358e-10 4.5461968000000005e-10 ] [ 5.88309656882e-10 4.933828800000001e-10 3.2544528e-10 ] [ 1.0075758853000001e-09 3.4435188e-10 3.7346038e-10 ] [ 5.79780762041e-10 2.5317518e-10 5.6882198e-10 ] [ 5.332312420000001e-10 9.520478e-11 7.3822398e-10 ] [ 7.50798165249e-10 9.776239999999998e-12 7.749521800000001e-10 ] [ 9.581986279e-10 1.1555148e-10 7.301165800000001e-10 ] [ 7.321376455390001e-10 4.693563800000001e-10 7.971604800000001e-10 ] [ 1.04785787766e-09 3.3727618000000004e-10 7.023641800000001e-10 ] [ 1.00067350138e-09 5.067158800000001e-10 5.4223188e-10 ] [ 7.61077272993e-10 1.1951028e-10 9.815007800000001e-10 ] [ 6.90445098869e-10 3.4603578000000005e-10 9.9187028e-10 ] [ 9.574854401309999e-10 4.7713658e-10 8.6917798e-10 ] [ 1.00304833343e-09 3.5524598e-10 1.06413488e-09 ] [ 7.63875994089e-10 6.4815268e-10 5.844848e-11 ] [ 6.748903869240001e-10 7.942141800000001e-10 2.2596058e-10 ] [ 5.46834733884e-10 6.118640800000002e-10 1.3014128000000002e-10 ] [ 6.323597782210001e-10 1.04976388e-09 4.016222e-11 ] [ 8.999245194179999e-10 8.6892228e-10 2.4033408e-10 ] [ 1.01068303358e-09 8.4516458e-10 2.717152e-11 ] [ 7.090922714040001e-10 6.741300800000001e-10 4.2549348000000004e-10 ] [ 9.42265997053e-10 7.036636800000001e-10 4.1416958e-10 ] [ 6.263411171710002e-10 7.952387799999999e-10 6.195621800000002e-10 ] [ 7.92617942902e-10 8.4820248e-10 7.7524188e-10 ] [ 9.59740264058e-10 8.374361799999999e-10 6.0845518e-10 ] [ 1.0237368041500001e-09 1.0567038800000002e-09 5.476888800000001e-10 ] [ 6.820965507770001e-10 6.7481858e-10 9.084289799999999e-10 ] [ 1.05255801977e-09 6.883711800000001e-10 9.246541799999999e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1004906 0.0221628 -0.6861251 ] [ 0.233288 -0.5746867 -0.1503369 ] [ 0.1108112 0.3133434 0.5368149 ] [ 0.3348867 -0.0094583 -0.0580189 ] [ -0.1696987 0.1826251 1.1199649 ] [ 0.0049503 0.2097569 0.5470593 ] [ -0.5069459 -0.2620883 0.5675771 ] [ -0.7324122 0.345087 0.0236885 ] [ 0.1447247 -0.0298405 0.0128288 ] [ 0.6945546 0.1801229 0.1480063 ] [ -0.1366977 -0.3933404 0.0771128 ] [ 0.0011839 -0.028225 0.4251617 ] [ 0.4867432 0.1634428 -0.6579304 ] [ 0.1201291 -0.0309452 0.2955545 ] [ -0.8733728 0.0817725 -0.0035403 ] [ -0.4752607 0.0254946 1.0001755 ] [ 1.4824477 0.3974001 -0.2027412 ] [ 1.1412127 0.3984936 -0.2178541 ] [ -0.1197905 0.1109354 -0.5013226 ] [ -1.0971654 0.2485854 0.7541322 ] [ 0.1010354 -0.3269404 -0.2216396 ] [ 0.3962987 -0.1172068 0.5567426 ] [ 0.1464995 0.5281569 0.1960418 ] [ 0.3544905 -0.0715766 0.9710844 ] [ 0.0581446 -0.9978938 -0.2833376 ] [ 1.1522571 -0.5140064 -1.0815178 ] [ -0.4482803 0.4798802 0.1965084 ] [ -1.0886686 -0.4635392 -0.7594899 ] [ -0.140876 0.1237169 0.2099993 ] [ -0.4083384 -0.578598 -0.2806395 ] [ 0.2310185 0.05843 0.1443572 ] [ 0.0672682 0.1270126 0.2713561 ] [ 0.5550799 0.1162584 0.4779167 ] [ -0.1536692 -0.164248 -0.7130199 ] [ 0.515258 -0.0511991 -0.3389677 ] [ 0.0207367 -0.6155988 -0.2059789 ] [ 0.0246175 -0.2535744 0.277805 ] [ -0.2828604 -0.1241228 0.6518619 ] [ -0.1330216 0.5218728 -0.3323467 ] [ 0.2010978 0.5667794 0.8002245 ] [ 0.318557 0.3110385 0.1566999 ] [ -0.3298914 0.3970613 0.3815738 ] [ 0.3263091 0.3040452 0.1512834 ] [ 0.3815687 -0.1733036 -0.8182667 ] [ -0.4207521 -0.4819589 -0.1561265 ] [ 0.2209594 -0.0660206 -0.5543894 ] [ -0.1076392 0.3165078 -0.6999679 ] [ -0.5136756 -0.8237293 -0.0235544 ] [ -0.0649983 -0.0721789 -0.1851096 ] [ 0.4541196 -0.2733279 0.2666309 ] [ 1.1375268 0.8433452 -0.9869492 ] [ -0.363815 1.0936045 -0.3050925 ] [ -1.8410953 -0.0395225 -0.0977707 ] [ -0.4557683 -0.6167653 0.2692387 ] [ 0.6459237 -0.4617211 -0.5143221 ] [ -0.9025301 -0.4310798 0.1823516 ] [ -0.545124 -0.5272232 0.652675 ] [ 0.0799939 0.1327348 -0.1329163 ] [ -0.4964893 0.1404397 -0.7397501 ] [ 0.3667913 -0.1111642 0.0315013 ] [ -0.159794 -0.3671014 0.0178647 ] [ 0.3806782 0.4803229 -0.9634674 ] [ 1.0903409 0.6325976 0.8230625 ] [ -0.9123811 0.1991584 -0.3223663 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6100368993016449e-10 3.550872001146624e-11 -1.0992935941640623e-09 ] [ 3.7376857951319043e-10 -9.207495950247033e-10 -2.408662664235475e-10 ] [ 1.7753911396279296e-10 5.020314697619827e-10 8.600722824770899e-10 ] [ 5.365476413568633e-10 -1.5153867132512638e-11 -9.295652514453312e-11 ] [ -2.7188728972015296e-10 2.9259766559126213e-10 1.79438157889661e-09 ] [ 7.931254925946241e-12 3.360676012314835e-10 8.764856206512135e-10 ] [ -8.122168689904147e-10 -4.1991174684521663e-10 9.093587601214636e-10 ] [ -1.1734537036286938e-09 5.528903235420096e-10 3.79531608818208e-11 ] [ 2.318745307922938e-10 -4.78097514529824e-11 2.055400343291904e-11 ] [ 1.1127991419890958e-09 2.8858869925069636e-10 2.3713223359111105e-10 ] [ -2.190138590571322e-10 -6.302007928961203e-10 1.2354832532442624e-10 ] [ 1.89681690136512e-12 -4.522143512208e-11 6.811841357995833e-10 ] [ 7.798485753733786e-10 2.6186423299809027e-10 -1.0541207049935925e-09 ] [ 1.924680354977453e-10 -4.957967596598016e-11 4.735305100722336e-10 ] [ -1.3992974814026343e-09 1.31013987724368e-10 -5.67218589061824e-12 ] [ -7.614515823250426e-10 4.084685207664768e-11 1.6024578027969505e-09 ] [ 2.375143046498732e-09 6.36705149323582e-10 -3.24827210712937e-10 ] [ 1.8284243073000444e-09 6.384571294584269e-10 -3.490407457654253e-10 ] [ -1.919255384939424e-10 1.7773810429909632e-10 -8.032073491986701e-10 ] [ -1.7578527530306803e-09 3.9827771615221637e-10 1.20825297983247e-09 ] [ 1.6187655575317633e-10 -5.238162652750004e-10 -3.551057853634637e-10 ] [ 6.34940511993433e-10 -1.8778599475878144e-10 8.919999775234061e-10 ] [ 2.347180738588896e-10 8.462006372942036e-10 3.1409358865954944e-10 ] [ 5.679563913957024e-10 -1.1467835511635329e-10 1.5558487225035956e-09 ] [ 9.315791874576768e-11 -1.5988021164012712e-09 -4.5395687851358214e-10 ] [ 1.8461193867708077e-09 -8.235290370215732e-10 -1.7327825341390505e-09 ] [ -7.182242162252103e-10 7.688528372248282e-10 3.1484116427081474e-10 ] [ -1.744239378719067e-09 -7.426716690643353e-10 -1.21683696151373e-09 ] [ -2.2570823363182081e-10 1.9821632477785153e-10 3.3645596884436544e-10 ] [ -6.542302378548787e-10 -9.270161884416383e-10 -4.496340457730016e-10 ] [ 3.701324396722848e-10 9.361517995334401e-11 2.3128573088414974e-10 ] [ 1.0777553736329857e-10 2.034966182670221e-10 4.3476039933146687e-10 ] [ 8.893360384560019e-10 1.8626649045161474e-10 7.657069634298874e-10 ] [ -2.462051995770394e-10 -2.631543056131584e-10 -1.142383813945154e-09 ] [ 8.255343212801664e-10 -8.203000102600128e-11 -5.430861241463482e-10 ] [ 3.322385593254336e-11 -9.862980051525351e-10 -3.300145779581011e-10 ] [ 3.9441582962544e-11 -4.062709753133875e-10 4.4509267614134405e-10 ] [ -4.5319231983013635e-10 -1.9886664826823426e-10 1.0443978961702675e-09 ] [ -2.1312409758140927e-10 8.361323991914343e-10 -5.324781127400314e-10 ] [ 3.221941936543142e-10 9.080807038310516e-10 1.2821009852913697e-09 ] [ 5.103845777921855e-10 4.983386128687008e-10 2.510609162616979e-10 ] [ -5.285442884829812e-10 6.361623318844551e-10 6.113486214698151e-10 ] [ 5.228048111742893e-10 4.871341111064602e-10 2.4238272659513477e-10 ] [ 6.113404503690489e-10 -2.7766297622047487e-10 -1.3110077763191675e-09 ] [ -6.741191777725037e-10 -7.721832817664852e-10 -2.5014222818733123e-10 ] [ 3.540159848259955e-10 -1.0577666181118848e-10 -8.882297354993396e-10 ] [ -1.7245700972161537e-10 5.071013974608423e-10 -1.1214722046904724e-09 ] [ -8.229990369954125e-10 -1.3197598263279495e-09 -3.773830899697152e-11 ] [ -1.0413875665174463e-10 -1.1564334609506113e-10 -2.965782734056397e-10 ] [ 7.275798061670478e-10 -4.3791957119236035e-10 4.2718979436286275e-10 ] [ 1.8225188444934376e-09 1.3511879627039002e-09 -1.5812669341572634e-09 ] [ -5.82895887296352e-10 1.7521475623016738e-09 -4.88812070681424e-10 ] [ -2.9497598463247624e-09 -6.332202549556801e-11 -1.5664592973925056e-10 ] [ -7.302213147617607e-10 -9.881669441806981e-10 4.3136795055458495e-10 ] [ 1.034883850960633e-09 -7.397587517500589e-10 -8.240348441807597e-10 ] [ -1.4460126257882862e-09 -6.906659772591399e-10 2.921594702854733e-10 ] [ -8.733849282369793e-10 -8.447046849833626e-10 1.04570062598064e-09 ] [ 1.2816435638661314e-10 2.1266459332656382e-10 -2.1295538838323901e-10 ] [ -7.954635489373575e-10 2.2500920397216577e-10 -1.185210315454462e-09 ] [ 5.876644455728391e-10 -1.7810468230993539e-10 5.0470646384807044e-11 ] [ -2.560182109441152e-10 -5.881612805429491e-10 2.862240467760576e-11 ] [ 6.099137120882267e-10 7.695621208148564e-10 -1.543644943182962e-09 ] [ 1.7469186986820308e-09 1.0135330850941901e-09 1.3186914949572e-09 ] [ -1.461795667679787e-09 3.1908693231593475e-10 -5.16487749193799e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -114.63943431020755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.836726214735519e-17 } }