{ "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" [ [ -2.3195073 -0.8704733 0.6279833 ] [ -1.5703301 -1.3733926 1.3223471 ] [ -1.41632 -2.1416027 -0.7379544 ] [ -1.042813 -0.8961775 -0.9012053 ] [ -0.9032718 0.2566276 0.0520795 ] [ -0.2510185 -1.256027 0.9881617 ] [ -0.9430177 -0.9067643 -0.4477621 ] [ 0.0104073 0.3735634 -0.5738739 ] [ -0.6622587 -0.9608815 -1.8834946 ] [ -0.899347 0.03162729999999996 3.3837401 ] [ -2.3641524 -0.7286095 -0.4243114 ] [ -0.3568227 -1.6868494 -0.7881344 ] [ -0.449193 0.13604649999999996 3.1985531 ] [ -1.2351156 0.10191499999999999 1.9361706 ] [ -0.9409025 0.8908999 -0.6885361 ] [ -1.3687017 0.23422810000000005 -4.3725524 ] [ 0.0617527 -0.7612841 0.828314 ] [ -1.3219735 -2.0014071 1.4863687 ] [ -1.2148312 -2.9260713 0.9511884 ] [ -1.705446 -0.6714325 -2.2036963 ] [ -0.277135 1.0052408 0.4674984 ] [ -1.3227758 0.8807941 -1.134845 ] [ -1.3175686 1.1887852 2.0555001 ] [ -0.8463181 0.6481775 -1.2847147 ] [ 0.0598386 -1.2108073 -0.0825347 ] [ 0.0882276 -0.7189104 0.2724638 ] [ 1.4188572 -0.8280352 0.45683 ] [ -0.0623431 -0.7482441 -0.8543321 ] [ 0.1027251 0.5841446 1.1845484 ] [ -0.3810844 0.4564494 0.2708956 ] [ -1.0802067 0.8653058 0.5895121 ] [ -0.3557256 -0.5434723 -2.1379343 ] [ 0.2375688 -1.4603207 0.0982742 ] [ 1.0191463 -2.3266479 0.8730892 ] [ 0.2680731 -1.1193466 0.5631199 ] [ 1.0549612 -0.6510072 -1.2788067 ] [ -0.3455285 1.4703885 1.2515677 ] [ -0.6191949 1.557183 -0.3215581 ] [ 0.0272863 2.046683 0.8655031 ] [ -0.8330336 0.8638477 -2.1297545 ] [ -0.0828459 -0.1045409 -0.1866847 ] [ 0.3517477 -0.02143900000000001 0.8814963 ] [ 0.0506865 -0.9808689 -1.6725125 ] [ -1.1752063 -0.2922143 0.352078 ] [ 0.7883398 0.7880589 -0.0756297 ] [ -0.4289443 1.2770109 0.9407271 ] [ 0.3597564 0.7484595 -0.1577881 ] [ 1.3550024 -0.5318801 -0.9822938 ] [ 2.0953892 -0.4043736 -0.0066778 ] [ 1.6614654 0.0069102999999999925 0.7692238 ] [ 2.7640387 -0.5350892 0.6610941 ] [ 1.3076919 -0.9927512 -1.0089916 ] [ 1.8264685 1.5336054 0.1610504 ] [ 2.4449484 0.4745546 0.6635438 ] [ 2.1444063 0.8138737 -0.0308669 ] [ 1.724022 0.7022783 -1.4857329 ] [ 0.9619828 -0.22893190000000002 1.5251622 ] [ 0.3768863 2.1985094 1.0173477 ] [ 0.769721 1.6081384 -1.7163456 ] [ 0.9079593 0.6419557 -0.9303548 ] [ 0.2603168 1.59987 0.0920759 ] [ 1.9375093 0.928635 1.9952022 ] [ 1.7365566 2.168606 -2.0334522 ] [ -0.080806 1.7974804 -0.2493785 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.716260367834932e-09 -1.3946519702906248e-09 1.0061401615128328e-09 ] [ -2.515946173158526e-09 -2.200417514899726e-09 2.11863360820268e-09 ] [ -2.269194791571456e-09 -3.431225776982156e-09 -1.1823332868964915e-09 ] [ -1.6707706084663104e-09 -1.435834638586992e-09 -1.4438900622010502e-09 ] [ -1.4472009601879334e-09 4.111627409720141e-10 8.344055732295361e-11 ] [ -4.0217597208828476e-10 -2.0123770944935616e-09 1.5832095733099834e-09 ] [ -1.5108809119405882e-09 -1.4527965620360775e-09 -7.173939683003117e-10 ] [ 1.667433274565184e-11 5.985145458665588e-10 -9.194473458673172e-10 ] [ -1.0610554060614009e-09 -1.5395018746592354e-09 -3.0176910135230477e-09 ] [ -1.4409127373866177e-09 5.067252063902778e-11 5.421349279083454e-09 ] [ -3.78778970328821e-09 -1.1673611065927777e-09 -6.798218050189171e-10 ] [ -5.716929877107322e-10 -2.7026306714905076e-09 -1.2627305097282356e-09 ] [ -7.196865228270145e-10 2.1797052164166714e-10 5.124646997207364e-09 ] [ -1.978873338305365e-09 1.63285830308832e-10 3.1020872692003087e-09 ] [ -1.5074919879522721e-09 1.427378991253058e-09 -1.103156441996811e-09 ] [ -2.192901864589215e-09 3.752747857544046e-10 -7.00560122850293e-09 ] [ 9.893873221127616e-11 -1.2197115868067693e-09 1.3271053254813312e-09 ] [ -2.118035035017149e-09 -3.2066076643231282e-09 2.381425181028889e-09 ] [ -1.9463741468584092e-09 -4.6880830276538625e-09 1.5239718164561588e-09 ] [ -2.732425709236877e-09 -1.075753453945296e-09 -3.530710691203463e-09 ] [ -4.4401921780540807e-10 1.6105733080342886e-09 7.490150067414067e-10 ] [ -2.119320461320017e-09 1.4111877147585774e-09 -1.8182221272317763e-09 ] [ -2.1109776072201867e-09 1.9046438545930524e-09 3.2932742042720626e-09 ] [ -1.3559510735798765e-09 1.038494836628592e-09 -2.058339856738086e-09 ] [ 9.587200594140288e-11 -1.9399271483539716e-09 -1.3223516674474177e-10 ] [ 1.413561980292941e-10 -1.1518214353299763e-09 4.3653513037432703e-10 ] [ 2.27325983409375e-09 -1.326658638639452e-09 7.319223456800641e-10 ] [ -9.988465728819649e-11 -1.1988192036715373e-09 -1.3687909170189678e-09 ] [ 1.645837535893421e-10 9.359028212865678e-10 1.8978557526860467e-09 ] [ -6.105645162315955e-10 7.313125572581876e-10 4.340225969975885e-10 ] [ -1.7306819203715194e-09 1.3863727226026406e-09 9.445025042987116e-10 ] [ -5.699352397400525e-10 -8.707386131124039e-10 -3.4253483522664135e-09 ] [ 3.8062717719151105e-10 -2.3396916844102907e-09 1.5745262566782338e-10 ] [ 1.6328523750348232e-09 -3.7277008702134165e-09 1.3988431041129753e-09 ] [ 4.295004534853805e-10 -1.7933909530919695e-09 9.022175384872339e-10 ] [ 1.6902341704911129e-09 -1.0430285158124698e-09 -2.0488741972623997e-09 ] [ -5.535976845200928e-10 2.355822078193181e-09 2.0052325082884284e-09 ] [ -9.92059592498594e-10 2.4948821969072063e-09 -5.151928700488685e-10 ] [ 4.371747192813504e-11 3.2791476527888062e-09 1.3866888320499244e-09 ] [ -1.334666958260859e-09 1.3840365888718522e-09 -3.4122428679435942e-09 ] [ -1.327337641091347e-10 -1.6749298589739074e-10 -2.991018618010618e-10 ] [ 5.635619413601722e-10 -3.434906457333122e-11 1.412312763181703e-09 ] [ 8.12087252901792e-11 -1.5715252196498131e-09 -2.6796604254957603e-09 ] [ -1.882888058476871e-09 -4.681789197234374e-10 5.640911402980224e-10 ] [ 1.263059596806148e-09 1.2626095453933651e-09 -1.2117213717811775e-10 ] [ -6.872445290854215e-10 2.045997008486767e-09 1.5072109661729837e-09 ] [ 5.763932932631731e-10 1.1991643125156577e-09 -2.528044048604525e-10 ] [ 2.17095316640789e-09 -8.52165861288766e-10 -1.573808161116791e-09 ] [ 3.3571835877168155e-09 -6.478779279887309e-10 -1.0699015038378241e-11 ] [ 2.6619610201481205e-09 1.1071521102714228e-11 1.2324323885229352e-09 ] [ 4.428478184126425e-09 -8.573074062825754e-10 1.0591895111688174e-09 ] [ 2.0951533893895318e-09 -1.590562762911145e-09 -1.6165827521035855e-09 ] [ 2.926325129327645e-09 2.4571067174126323e-09 2.5803118565048836e-10 ] [ 3.917239165542367e-09 7.603202854130957e-10 1.063114363236791e-09 ] [ 3.435717639356231e-09 1.303969414423993e-09 -4.9454225536571523e-11 ] [ 2.7621877421448576e-09 1.1251738735551687e-09 -2.3804065171333843e-09 ] [ 1.5412663517717223e-09 -3.667893379353236e-10 2.4435792197678937e-09 ] [ 6.038384185598151e-10 3.5224003612890354e-09 1.629970700164652e-09 ] [ 1.233228990738797e-09 2.576521747490719e-09 -2.7498887935329485e-09 ] [ 1.4547111630979335e-09 1.0285264141292985e-09 -1.49059270960906e-09 ] [ 4.170734909614695e-10 2.563274310319296e-09 1.4752185431911873e-10 ] [ 3.1042321030425738e-09 1.487837286256608e-09 3.196666318608726e-09 ] [ 2.7822703852159373e-09 3.474489832926605e-09 -3.257949574354326e-09 ] [ -1.2946548402036482e-10 2.8798810732262325e-09 -3.995484024301728e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 1535.2444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.459732684894124e-16 } }