{ "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" [ 10.8883 0 0 ] "si-unit" "m" "si-value" [ 1.08883e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -5.08893 9.25118 0 ] "si-unit" "m" "si-value" [ -5.08893e-10 9.25118e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.000292429 -0.0106915 10.0599 ] "si-unit" "m" "si-value" [ 2.92429e-14 -1.06915e-12 1.00599e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0165546 0.0046381 0.128623 ] [ -0.0234788 -0.0452155 2.54548 ] [ -0.00488727 -0.0046248 5.13702 ] [ -0.0447334 -0.306647 7.45196 ] [ -1.26306 2.30575 0.363968 ] [ -1.39208 2.33654 2.5263 ] [ -1.17537 2.25364 4.90735 ] [ -1.46062 2.40803 7.6638 ] [ -2.65707 4.84171 -0.172878 ] [ -2.69521 4.91401 2.73911 ] [ -2.71562 4.80584 5.08926 ] [ -2.41811 4.7596 7.57071 ] [ -3.78692 6.96269 -0.124184 ] [ -3.67368 6.79821 2.28555 ] [ -3.63384 6.77872 5.17021 ] [ -3.90874 6.88934 7.63294 ] [ 2.22908 0.0767241 0.0508547 ] [ 2.66227 -0.0303766 2.20661 ] [ 2.68937 -0.14877 5.17388 ] [ 2.69311 0.141266 7.96758 ] [ 1.48301 2.08354 -0.377774 ] [ 1.28213 2.1725 2.62382 ] [ 1.22126 2.22618 5.08282 ] [ 1.21936 2.44469 7.82317 ] [ 0.113886 4.55562 -0.179321 ] [ 0.0810082 4.45019 2.6631 ] [ 0.179801 4.81405 5.52672 ] [ 0.094404 4.56508 7.94684 ] [ -1.18564 6.74928 0.170597 ] [ -1.09246 6.89596 2.51272 ] [ -1.03539 6.71682 5.11403 ] [ -1.20238 6.93517 7.66034 ] [ 5.60211 -0.0612136 0.339346 ] [ 5.09974 -0.103113 2.43936 ] [ 5.14881 -0.0708218 5.59289 ] [ 5.38392 -0.436684 7.94408 ] [ 4.14454 2.22131 0.192156 ] [ 4.3364 2.25585 2.61036 ] [ 4.00854 2.31149 4.79378 ] [ 4.15702 2.19838 8.05353 ] [ 2.53922 4.31267 -0.130544 ] [ 2.70029 4.51493 2.3599 ] [ 2.72561 4.39358 4.81989 ] [ 2.34967 4.56726 7.95271 ] [ 1.36939 6.77949 0.133615 ] [ 1.51397 6.80918 2.22211 ] [ 1.61838 7.05731 5.27317 ] [ 1.40236 6.74712 8.09255 ] [ 7.86412 -0.181995 -0.31195 ] [ 7.87067 -0.599447 2.54961 ] [ 7.76506 -0.0197608 5.58805 ] [ 7.79642 0.0283804 7.68034 ] [ 6.64311 2.16023 0.00354923 ] [ 6.431 1.94137 2.84412 ] [ 6.70356 2.04741 5.1608 ] [ 6.74068 1.76825 7.94802 ] [ 5.37861 4.50506 -0.384157 ] [ 5.18526 4.8805 2.50278 ] [ 5.35878 4.63189 5.44052 ] [ 5.37541 4.43597 7.87672 ] [ 4.13979 6.76291 -0.435976 ] [ 3.98975 6.69094 2.61181 ] [ 4.38282 6.87505 5.19986 ] [ 3.92995 7.04105 8.08633 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6554599999999999e-12 4.6381e-13 1.28623e-11 ] [ -2.3478800000000003e-12 -4.52155e-12 2.54548e-10 ] [ -4.887270000000001e-13 -4.624800000000001e-13 5.13702e-10 ] [ -4.47334e-12 -3.06647e-11 7.45196e-10 ] [ -1.2630600000000002e-10 2.3057500000000003e-10 3.6396800000000006e-11 ] [ -1.39208e-10 2.33654e-10 2.5263e-10 ] [ -1.1753700000000002e-10 2.25364e-10 4.907350000000001e-10 ] [ -1.46062e-10 2.40803e-10 7.6638e-10 ] [ -2.6570700000000003e-10 4.84171e-10 -1.7287800000000002e-11 ] [ -2.6952099999999997e-10 4.914010000000001e-10 2.7391100000000005e-10 ] [ -2.71562e-10 4.80584e-10 5.089260000000001e-10 ] [ -2.41811e-10 4.7596e-10 7.570710000000001e-10 ] [ -3.78692e-10 6.96269e-10 -1.2418400000000001e-11 ] [ -3.6736800000000003e-10 6.79821e-10 2.2855500000000002e-10 ] [ -3.63384e-10 6.77872e-10 5.17021e-10 ] [ -3.90874e-10 6.889340000000001e-10 7.63294e-10 ] [ 2.2290800000000002e-10 7.672410000000001e-12 5.08547e-12 ] [ 2.66227e-10 -3.0376600000000002e-12 2.20661e-10 ] [ 2.68937e-10 -1.4877e-11 5.17388e-10 ] [ 2.69311e-10 1.4126600000000001e-11 7.96758e-10 ] [ 1.48301e-10 2.0835400000000002e-10 -3.77774e-11 ] [ 1.2821300000000002e-10 2.1725e-10 2.62382e-10 ] [ 1.2212600000000001e-10 2.2261799999999999e-10 5.08282e-10 ] [ 1.21936e-10 2.4446900000000003e-10 7.82317e-10 ] [ 1.13886e-11 4.5556200000000004e-10 -1.79321e-11 ] [ 8.10082e-12 4.45019e-10 2.6631000000000003e-10 ] [ 1.79801e-11 4.814050000000001e-10 5.52672e-10 ] [ 9.4404e-12 4.5650800000000004e-10 7.94684e-10 ] [ -1.18564e-10 6.749279999999999e-10 1.7059700000000002e-11 ] [ -1.09246e-10 6.895959999999999e-10 2.51272e-10 ] [ -1.03539e-10 6.71682e-10 5.114029999999999e-10 ] [ -1.20238e-10 6.935170000000001e-10 7.66034e-10 ] [ 5.60211e-10 -6.1213600000000005e-12 3.39346e-11 ] [ 5.09974e-10 -1.03113e-11 2.43936e-10 ] [ 5.14881e-10 -7.0821800000000004e-12 5.59289e-10 ] [ 5.38392e-10 -4.3668400000000003e-11 7.94408e-10 ] [ 4.1445400000000004e-10 2.22131e-10 1.92156e-11 ] [ 4.3364000000000007e-10 2.2558500000000003e-10 2.6103600000000003e-10 ] [ 4.00854e-10 2.3114900000000002e-10 4.79378e-10 ] [ 4.1570200000000004e-10 2.19838e-10 8.05353e-10 ] [ 2.53922e-10 4.31267e-10 -1.30544e-11 ] [ 2.70029e-10 4.51493e-10 2.3599000000000003e-10 ] [ 2.72561e-10 4.39358e-10 4.81989e-10 ] [ 2.3496700000000004e-10 4.5672600000000005e-10 7.95271e-10 ] [ 1.36939e-10 6.77949e-10 1.3361500000000001e-11 ] [ 1.5139700000000001e-10 6.809179999999999e-10 2.2221099999999998e-10 ] [ 1.61838e-10 7.05731e-10 5.273170000000001e-10 ] [ 1.4023600000000002e-10 6.74712e-10 8.092549999999999e-10 ] [ 7.86412e-10 -1.8199499999999998e-11 -3.1195e-11 ] [ 7.87067e-10 -5.99447e-11 2.54961e-10 ] [ 7.76506e-10 -1.9760799999999998e-12 5.58805e-10 ] [ 7.79642e-10 2.8380400000000003e-12 7.68034e-10 ] [ 6.643110000000001e-10 2.16023e-10 3.5492300000000003e-13 ] [ 6.431e-10 1.9413700000000001e-10 2.84412e-10 ] [ 6.70356e-10 2.0474100000000002e-10 5.1608e-10 ] [ 6.74068e-10 1.76825e-10 7.94802e-10 ] [ 5.37861e-10 4.5050600000000005e-10 -3.841570000000001e-11 ] [ 5.18526e-10 4.8805e-10 2.50278e-10 ] [ 5.358780000000001e-10 4.63189e-10 5.44052e-10 ] [ 5.37541e-10 4.43597e-10 7.87672e-10 ] [ 4.13979e-10 6.76291e-10 -4.35976e-11 ] [ 3.98975e-10 6.69094e-10 2.6118100000000003e-10 ] [ 4.38282e-10 6.87505e-10 5.19986e-10 ] [ 3.92995e-10 7.04105e-10 8.086330000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.0016156 -0.5893897 -0.2519933 ] [ -1.4122269 -0.9466051 0.3913909 ] [ -0.5052278 -1.1519107 -0.7425502 ] [ -0.450221 0.6100684 1.3111207 ] [ -0.8806694 0.448948 -4.5779263 ] [ -0.7715229 0.9815163 2.978709 ] [ -2.27739 1.222873 1.7627572 ] [ -0.3050965 -1.0249335 -0.5249218 ] [ -0.8709675 -2.635673 1.6498636 ] [ 1.6855228 -4.5302801 -0.2612319 ] [ 1.041993 -4.8279478 0.1557065 ] [ -0.3737853 -1.0009347 -0.7500558 ] [ -2.0221246 -0.2185916 1.0939918 ] [ -2.8512869 3.1837702 0.2288707 ] [ -2.7856469 3.6276989 -0.3135617 ] [ -0.6578166 -0.8747736 -1.1442374 ] [ 3.3639903 -2.9621801 1.0896363 ] [ 0.2962129 0.3123856 3.5323703 ] [ -0.5375511 0.7693136 -0.443151 ] [ 0.9215497 -1.2325089 -4.6330401 ] [ -0.6759773 1.6999 12.6805271 ] [ 0.735796 -0.152072 0.1523225 ] [ 1.4653151 0.4347511 0.0913665 ] [ -1.7902093 -0.6446324 -13.1318448 ] [ -2.7102867 -0.8554912 13.6253288 ] [ -0.665127 0.5363673 0.4703138 ] [ 0.4747723 -2.7022596 -1.6356787 ] [ -3.6016158 0.665423 -11.5770211 ] [ 0.6208782 0.8931368 -0.5504015 ] [ 0.7525698 -0.1038211 1.2742504 ] [ -0.0583923 1.837139 -0.6247051 ] [ -0.9849719 0.2082524 -0.4002176 ] [ -0.9336789 -0.3549487 -2.555441 ] [ 0.188507 -1.4212891 2.5911699 ] [ -0.4785903 0.0525971 -0.0256715 ] [ -2.3494508 1.5314239 -0.632266 ] [ -0.6328878 0.2027432 2.2894841 ] [ -4.5334689 1.960867 -2.1367684 ] [ -0.3457104 -0.6969462 2.3805348 ] [ -0.4234266 -0.2264221 -3.3859108 ] [ 3.2788837 -0.152255 8.705235 ] [ -0.9696186 -0.8997723 0.3762107 ] [ -0.7742379 1.5594522 -0.0250539 ] [ 5.6431904 0.7229972 -9.0977008 ] [ 0.1324793 0.0482986 0.4243406 ] [ -1.7281994 -1.8299544 5.0409186 ] [ 0.9548805 -1.3454723 -0.0565283 ] [ 1.1710783 0.6452172 -6.4420715 ] [ 2.8730222 -1.1173756 8.9033293 ] [ 0.2884691 4.8893712 -0.4643557 ] [ 1.7229702 -0.7741342 -5.6994654 ] [ 5.2041275 -4.0301481 -2.0954025 ] [ 1.7715278 1.8675124 4.0941573 ] [ 6.0396284 -1.454202 -0.6539569 ] [ 0.2555772 1.7041278 0.0534417 ] [ -3.6008483 7.4058206 -3.2368958 ] [ 1.1047779 2.1390966 22.4112801 ] [ 3.8046939 -2.8727973 -0.2750611 ] [ 0.8072073 -0.7012143 -1.3237435 ] [ -0.1486303 0.1562351 -20.7138005 ] [ 7.5910161 -9.1455078 48.3912551 ] [ 0.8203549 2.6717006 1.478107 ] [ -0.5011212 0.6502727 -0.3932092 ] [ -5.4013931 7.8371671 -48.8521491 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.013471580548565e-09 -9.443063978803258e-10 -4.037377738582406e-10 ] [ -2.2626369224448596e-09 -1.516628560350046e-09 6.270773495738707e-10 ] [ -8.094641693382183e-10 -1.8455643927893625e-09 -1.1896965702103642e-09 ] [ -7.213335603931968e-10 9.774373275688626e-10 2.100646932586931e-09 ] [ -1.4109879233339636e-09 7.192939895549184e-10 -7.334646489605446e-09 ] [ -1.2361159527918165e-09 1.5725624687941192e-09 4.772417919966547e-09 ] [ -3.6487810144437123e-09 1.9592585308075586e-09 2.82424837398687e-09 ] [ -4.888184793879072e-10 -1.6421244915747168e-09 -8.410174357082535e-10 ] [ -1.395443765976624e-09 -4.222813660673799e-09 2.643372887428923e-09 ] [ 2.700505223985354e-09 -7.258308861895486e-09 -4.1853964278716355e-10 ] [ 1.6694568236372544e-09 -7.735225091602793e-09 2.494693140065952e-10 ] [ -5.988700688587142e-10 -1.6036741752874618e-09 -1.2017218670554408e-09 ] [ -3.239800758464552e-09 -3.502223510232653e-10 1.7527680853069094e-09 ] [ -4.568265210373307e-09 5.10096218043974e-09 3.6669128472613057e-10 ] [ -4.463098336983996e-09 5.812214364881877e-09 -5.023812249183034e-10 ] [ -1.0539383772941452e-09 -1.401541810413051e-09 -1.833270410924978e-09 ] [ 5.389706611257979e-09 -4.745935702819006e-09 1.745789805035015e-09 ] [ 4.745853831593684e-10 5.004969049945805e-10 5.659481110668283e-09 ] [ -8.612518049053228e-10 1.232576263983483e-09 -7.100061716841409e-10 ] [ 1.4764853842452539e-09 -1.9746969445079253e-09 -7.422948531448894e-09 ] [ -1.0830350262515078e-09 2.72354003769792e-09 2.0316444059040824e-08 ] [ 1.1788751488781568e-09 -2.4364620307829765e-10 2.44047548321808e-10 ] [ 2.347693595325214e-09 6.965480482870829e-10 1.463852702243232e-10 ] [ -2.8682314867987332e-09 -1.032814960290194e-09 -2.1039534726534052e-08 ] [ -4.342357986405184e-09 -1.370647999940137e-09 2.183018325407292e-08 ] [ -1.0656509292628416e-09 8.593551482216198e-10 7.535257747996071e-10 ] [ 7.606690792634438e-10 -4.32949715445236e-09 -2.620646172280537e-09 ] [ -5.770424631863888e-09 1.0661251735425984e-09 -1.8548432544928297e-08 ] [ 9.947565364043866e-10 1.4309629001361255e-09 -8.818404153532512e-10 ] [ 1.205749739080132e-09 -1.6633973916573887e-10 2.041574199925048e-09 ] [ -9.355477789473984e-11 2.9434211549598913e-09 -1.0008879061145261e-09 ] [ -1.5780989503249557e-09 3.3365712650548994e-10 -6.412192819526861e-10 ] [ -1.495918504914261e-09 -5.686905087233529e-10 -4.094267826033773e-09 ] [ 3.020215082571456e-10 -2.2771561674178735e-09 4.151511834300674e-09 ] [ -7.667861896016583e-10 8.426984394187969e-11 -4.11302771208672e-11 ] [ -3.764235143479857e-09 2.4536115691143575e-09 -1.0130018033267327e-09 ] [ -1.0139980367495462e-09 3.248304150661786e-10 3.6681578987133297e-09 ] [ -7.2634178827038936e-09 3.1416552638982335e-09 -3.4234803745442226e-09 ] [ -5.538891204474163e-10 -1.1166309075954009e-09 3.8140372015608035e-09 ] [ -6.784041991448333e-10 -3.627681950524397e-10 -5.424827123874225e-09 ] [ 5.253350806462201e-09 -2.4393940139990403e-10 1.3947323995569888e-08 ] [ -1.553500252012827e-09 -1.4415941431034437e-09 6.027559880348026e-10 ] [ -1.2404658623172885e-09 2.4985178560951257e-09 -4.014077283986112e-11 ] [ 9.041387725603001e-09 1.1583692107438618e-09 -1.4576123524793457e-08 ] [ 2.1225523719994944e-10 7.738288773737087e-11 6.798685885762445e-10 ] [ -2.7688806747605877e-09 -2.9319101568100917e-09 8.076441928275868e-09 ] [ 1.5298872127578145e-09 -2.155684262994004e-09 -9.056832067356864e-11 ] [ 1.8762742733862086e-09 1.033751913178038e-09 -1.0321336346821988e-08 ] [ 4.6030889998793815e-09 -1.7902330629723723e-09 1.426470605174363e-08 ] [ 4.6217844784321726e-10 7.833636227052842e-09 -7.439798462752185e-10 ] [ 2.7605025727751e-09 -1.2402997166017114e-09 -9.13155021493852e-09 ] [ 8.337931412162352e-09 -6.457009064181541e-09 -3.357204896665872e-09 ] [ 2.8383004242572585e-09 2.992084706334098e-09 6.559563107937652e-09 ] [ 9.67655142079971e-09 -2.329888446320602e-09 -1.0477544561908435e-09 ] [ 4.0947981464952577e-10 2.7303137200153383e-09 8.562304231580737e-11 ] [ -5.7691949613074245e-09 1.1865432623159029e-08 -5.186078774725713e-09 ] [ 1.7700493225565204e-09 3.427210562152769e-09 3.590682901842029e-08 ] [ 6.095791615880373e-09 -4.602728670357364e-09 -4.406964637115309e-10 ] [ 1.2932886641990918e-09 -1.1234691576306373e-09 -2.120870887635965e-09 ] [ -2.3813199180249026e-10 2.5031622456835007e-10 -3.318716688901535e-08 ] [ 1.2162148523536395e-08 -1.4652718782504043e-08 7.753133757238877e-08 ] [ 1.314353441538722e-09 4.2805362390973325e-09 2.368188478440826e-09 ] [ -8.02884670827241e-10 1.0418517170844922e-09 -6.299905873234714e-10 ] [ -8.653985744570437e-09 1.2556525900922937e-08 -7.826977116385576e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -221.42013 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.547541556604967e-17 } }