{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.07214064e-09 0.0 0.0 ] "source-value" [ 10.7214064 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 1.07214064e-09 0.0 ] "source-value" [ 0 10.7214064 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 0.0 0.0 1.07214064e-09 ] "source-value" [ 0 0 10.7214064 ] } "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" [ [ -1.368655212659186e-09 8.017006623044698e-09 -1.1098543413600654e-09 ] [ 1.2019932757750042e-09 5.452945644004589e-10 -9.612051955705518e-10 ] [ 1.384699409339877e-09 -7.122288713101767e-10 -1.0249086993195322e-09 ] [ -4.82088856927561e-10 7.269349300771757e-10 1.453943079625922e-09 ] [ 3.53022747473463e-09 1.5318878507042075e-09 3.325906696813868e-09 ] [ -1.1124035645814202e-09 7.877726205045313e-11 -9.202546826665384e-10 ] [ 2.1892865530443805e-09 -2.071476583505011e-09 6.618695762005152e-10 ] [ 5.7927437532799435e-09 -3.0214979453917306e-09 -4.880696861224101e-09 ] [ 7.558420415402976e-10 -2.1767780397304706e-09 -1.0835469216818536e-09 ] [ -2.610800796945721e-09 -7.736665768820218e-10 -6.668505830969204e-10 ] [ -3.0331680396799755e-09 -1.0284097756713043e-09 1.4898738129593068e-09 ] [ -2.7971291314148985e-09 -4.5078333512840006e-09 -3.6954649163852583e-09 ] [ 3.524661673371633e-09 -1.738249481204544e-11 4.4026472517752394e-09 ] [ -8.345425593306144e-10 1.0655179486033153e-09 -1.6406609032316159e-09 ] [ 3.3825248948926847e-10 -1.5839267075654536e-09 -5.982319219106497e-10 ] [ -2.009435498217773e-09 -3.86378831042521e-10 2.0431310349474797e-09 ] [ 1.5815952201468653e-09 4.57587570953977e-10 9.702994705055368e-10 ] [ 3.1391702879593733e-10 1.379283731926249e-09 2.3759704105057134e-09 ] [ 1.3611059166396384e-09 -4.952223472977124e-09 -1.394552795557797e-09 ] [ -4.5538121352947327e-10 -4.10426572858289e-09 -4.896335867437392e-09 ] [ 6.351516628502882e-09 8.844944209256065e-10 -1.0010010037621883e-08 ] [ 5.614979533501928e-09 3.3712808193679107e-09 -2.510080284114453e-09 ] [ 1.7035232642546765e-09 2.484775346347876e-09 2.2811084167060628e-09 ] [ -4.634062278312688e-09 -3.5560095406988816e-09 2.050399309187739e-09 ] [ -3.1497055605471055e-09 4.656887527323253e-09 -4.581370534478466e-09 ] [ 3.925711155077833e-09 5.287042978621004e-09 9.924713358683734e-09 ] [ -3.3903571353034657e-09 -2.6935977599200996e-09 8.752337759703177e-09 ] [ 4.227854268540498e-09 2.121957323602529e-09 1.4186306262505038e-09 ] [ -2.8528606849517647e-09 2.2375828855371e-09 -1.1583168195683617e-09 ] [ -5.66896695756939e-09 -2.330018222626887e-10 2.9059741216725813e-09 ] [ -5.830170118488845e-10 2.7303241341633735e-09 -1.5209451446018054e-09 ] [ 1.483601451706537e-09 2.9124852072418503e-09 -1.4830051215682753e-10 ] [ -2.122988804911e-09 -4.793906312804717e-09 -8.2099535491344e-10 ] [ -8.267886653565908e-10 2.891097431095467e-09 -1.9176153969503733e-09 ] [ 1.066647002467993e-09 -2.986851677055241e-09 -1.2693652833326304e-09 ] [ 5.309997843720193e-11 -5.4417448272485764e-11 1.0887956522915941e-09 ] [ -1.73412435705897e-09 -3.270422839782578e-09 5.571296828806465e-10 ] [ -4.3235985810052225e-10 -1.9712235858116928e-10 1.9043150879504642e-11 ] [ -1.608517394994478e-09 -2.1690058809429696e-10 -1.3656682747850285e-09 ] [ 8.108091966113798e-10 -1.5166104557542312e-09 -9.078016046637082e-10 ] [ -1.3640439881268615e-09 -3.735176466108408e-09 -1.956936496231033e-09 ] [ 1.3473398548960628e-09 -5.885665511191805e-09 -1.2826417199008897e-09 ] [ 3.079909780197533e-09 2.679506456322501e-09 1.8888846851332016e-09 ] [ -7.418795369212457e-09 6.220361809453546e-09 -5.743352653502231e-09 ] [ 4.279301121140357e-09 -1.7363518632148686e-09 3.89771520145896e-09 ] [ -1.96983994608197e-09 -8.131047952736621e-10 -5.418928229991763e-10 ] [ -1.8058739917976083e-09 5.6076431667552845e-09 6.577146515697947e-10 ] [ -2.3970488063466203e-09 4.835798745344099e-09 4.364302038274308e-09 ] [ -6.4489611707976e-10 -6.482025289721049e-10 5.998577146148403e-09 ] [ 3.310549353250514e-09 5.808126891886892e-09 -3.155714363745754e-10 ] [ -6.00509047476494e-09 -2.5162363273445533e-09 8.32042362713856e-12 ] [ -1.0724549568054578e-08 3.3004554803218123e-09 -4.857651953798825e-09 ] [ 4.2635900169791305e-09 3.732582862594656e-10 1.2566904640854818e-09 ] [ 1.4609269675159892e-09 1.3793340402721423e-09 -7.108774353305318e-10 ] [ -2.9882580676929794e-10 -3.5965420457225278e-09 -6.430810111860557e-10 ] [ 3.5395484576614583e-09 5.9737477344028785e-09 5.463942503676774e-09 ] [ 1.5729122239504397e-09 1.1718552120141216e-09 -7.939594255257505e-10 ] [ 6.411217093964793e-10 4.039992490827552e-10 -2.3778675478424026e-09 ] [ -4.944225727721415e-10 -3.1071368492560837e-09 -4.539035260321095e-09 ] [ 6.431039543552656e-09 -6.683159178125379e-09 1.2368654510150266e-09 ] [ 8.380171997681433e-10 -2.3338817113302836e-09 -1.5194293253008667e-09 ] [ -1.1448619005245453e-09 -2.0631020063080895e-09 2.307698780775508e-09 ] [ -2.3048078132809366e-09 -1.9452133698966397e-09 1.7561799204209033e-09 ] [ 3.040863934860326e-10 -1.215623633158798e-09 -1.9333481304959808e-10 ] ] "source-value" [ [ -0.8542474 5.003822 -0.6927166 ] [ 0.7502252 0.3403461 -0.5999371 ] [ 0.8642614 -0.4445383 -0.6396977 ] [ -0.3008962 0.4537171 0.9074799 ] [ 2.2033947 0.9561292 2.0758677 ] [ -0.6943077 0.0491689 -0.5743778 ] [ 1.3664452 -1.292914 0.4131065 ] [ 3.6155463 -1.8858707 -3.0462914 ] [ 0.4717595 -1.358638 -0.6762968 ] [ -1.6295337 -0.4828847 -0.4162154 ] [ -1.8931546 -0.6418829 0.9299061 ] [ -1.7458307 -2.8135683 -2.3065278 ] [ 2.1999208 -0.0108493 2.7479163 ] [ -0.5208805 0.665044 -1.02402 ] [ 0.2111206 -0.9886093 -0.373387 ] [ -1.254191 -0.2411587 1.2752221 ] [ 0.9871541 0.2856037 0.6056133 ] [ 0.1959316 0.8608812 1.4829641 ] [ 0.8495355 -3.0909348 -0.8704114 ] [ -0.2842266 -2.5616812 -3.0560525 ] [ 3.9643049 0.552058 -6.2477569 ] [ 3.5045946 2.104188 -1.5666689 ] [ 1.0632556 1.5508748 1.4237559 ] [ -2.8923542 -2.2194866 1.2797586 ] [ -1.9658916 2.9066006 -2.8594666 ] [ 2.4502362 3.2999127 6.1945189 ] [ -2.1160945 -1.6812115 5.4627796 ] [ 2.6388191 1.3244216 0.8854396 ] [ -1.7806156 1.3965894 -0.7229645 ] [ -3.5382909 -0.1454283 1.8137664 ] [ -0.3638906 1.7041343 -0.9492993 ] [ 0.9259912 1.8178303 -0.0925619 ] [ -1.3250654 -2.992121 -0.512425 ] [ -0.5160409 1.8044811 -1.1968814 ] [ 0.6657487 -1.8642462 -0.7922755 ] [ 0.0331424 -0.0339647 0.6795728 ] [ -1.0823553 -2.0412374 0.347733 ] [ -0.2698578 -0.1230341 0.0118858 ] [ -1.0039576 -0.1353787 -0.8523831 ] [ 0.5060673 -0.9465938 -0.5666052 ] [ -0.8513693 -2.3313138 -1.2214237 ] [ 0.8409434 -3.6735435 -0.800562 ] [ 1.9223285 1.6724164 1.1789491 ] [ -4.6304479 3.8824445 -3.5847188 ] [ 2.6709297 -1.0837456 2.4327625 ] [ -1.2294774 -0.5075001 -0.3382229 ] [ -1.1271379 3.5000156 0.4105132 ] [ -1.4961202 3.0182682 2.7239831 ] [ -0.4025125 -0.4045762 3.7440174 ] [ 2.0662824 3.6251477 -0.1969642 ] [ -3.7480827 -1.5705112 0.0051932 ] [ -6.6937374 2.0599823 -3.0319079 ] [ 2.6611236 0.2329695 0.7843645 ] [ 0.9118389 0.8609126 -0.4436948 ] [ -0.1865124 -2.244785 -0.4013796 ] [ 2.2092124 3.7285201 3.4103247 ] [ 0.9817346 0.7314145 -0.4955505 ] [ 0.4001567 0.2521565 -1.4841482 ] [ -0.3085943 -1.9393223 -2.833043 ] [ 4.0139392 -4.1712999 0.7719907 ] [ 0.5230492 -1.4566944 -0.9483532 ] [ -0.7145666 -1.287687 1.4403523 ] [ -1.4385479 -1.2141067 1.0961213 ] [ 0.1897958 -0.7587326 -0.1206701 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 7.474348000000001e-11 1.3566484e-10 2.4661654e-10 ] [ 3.7930074e-10 1.3823234e-10 9.870934000000002e-11 ] [ 2.5737724e-10 3.3474354000000003e-10 7.67949e-11 ] [ 3.7648994e-10 4.815169399999999e-10 2.1499764e-10 ] [ 3.0137604e-10 1.4107964e-10 3.2564374e-10 ] [ 5.088250000000001e-11 4.2596834000000003e-10 4.1341253999999996e-10 ] [ 2.7813774000000005e-10 3.6322814000000003e-10 3.9277604e-10 ] [ 1.382832e-11 7.145773000000001e-11 6.901515400000001e-10 ] [ 3.6051934e-10 2.2632784e-10 7.5728604e-10 ] [ 5.0505674e-10 3.277409e-11 7.6820704e-10 ] [ 1.4727124000000002e-10 3.5669994e-10 7.2343724e-10 ] [ 4.2625904e-10 3.5307784000000003e-10 5.7049524e-10 ] [ 3.298107e-11 8.699519e-11 9.351267400000002e-10 ] [ 2.2715364000000002e-10 8.9122e-12 1.04293864e-09 ] [ 1.1090834e-10 4.8451154e-10 9.111429400000001e-10 ] [ 4.04481e-11 3.0790644000000004e-10 1.05059364e-09 ] [ 3.3529054e-10 4.6064704e-10 9.7055254e-10 ] [ 5.1918144e-10 3.5385334e-10 8.747705400000001e-10 ] [ 2.2743714000000002e-10 6.6393214e-10 1.9588384000000002e-10 ] [ 6.296184000000001e-11 7.848583400000001e-10 7.798822000000001e-11 ] [ 1.4862824e-10 9.821246400000001e-10 1.8076434e-10 ] [ 3.5755814e-10 8.5946914e-10 1.9677864e-10 ] [ 4.8230694e-10 8.9096154e-10 1.598693e-12 ] [ 1.9380714000000003e-10 7.1030964e-10 4.2243454e-10 ] [ 5.003666399999999e-10 6.413360399999999e-10 4.6205463999999996e-10 ] [ 2.3549014000000003e-10 1.02595364e-09 4.5353794000000004e-10 ] [ 5.4402550000000006e-11 8.889372400000001e-10 3.9173834e-10 ] [ 3.8541013999999997e-10 8.486995400000002e-10 4.2980374e-10 ] [ 1.2484134e-10 5.595097399999999e-10 5.9667584e-10 ] [ 3.6811044000000003e-10 5.7701274e-10 6.6082494e-10 ] [ 2.8084744000000004e-10 7.4203914e-10 8.310435400000001e-10 ] [ 3.466802e-11 7.2536354e-10 9.118672400000002e-10 ] [ 4.1707443999999997e-10 6.746182399999999e-10 1.0149086400000001e-09 ] [ 3.5592224e-10 9.6026504e-10 8.868141400000001e-10 ] [ 5.7262614e-10 2.4390064e-10 5.2592e-12 ] [ 7.503026400000001e-10 3.3028134e-10 1.4234364e-10 ] [ 6.095663399999999e-10 5.1801994e-10 1.6534804e-10 ] [ 9.489885400000002e-10 4.4773164e-10 8.527513000000001e-11 ] [ 7.3980934e-10 2.5336164e-10 3.6568184000000005e-10 ] [ 1.03650864e-09 1.1276694e-10 4.5652574e-10 ] [ 8.3976124e-10 3.427561e-11 3.6161054e-10 ] [ 6.400556400000001e-10 4.3829354e-10 4.9521654e-10 ] [ 9.3361484e-10 3.1353254000000005e-10 4.9081954e-10 ] [ 6.9100414e-10 1.0669063999999999e-10 6.4257824e-10 ] [ 6.6587564e-10 4.8499854e-10 7.299901400000001e-10 ] [ 8.903267400000001e-10 4.9671784e-10 7.9166624e-10 ] [ 9.893426400000002e-10 2.8875254e-10 7.189401399999999e-10 ] [ 8.1441614e-10 1.6540974e-10 8.3060294e-10 ] [ 6.478848400000001e-10 6.125187000000001e-11 9.558889400000001e-10 ] [ 6.9144514e-10 8.092672400000002e-10 6.861008e-11 ] [ 9.6321404e-10 8.114638400000001e-10 2.3571034e-10 ] [ 9.721258400000001e-10 1.04966864e-09 1.6817724000000002e-10 ] [ 8.0826594e-10 5.9217414e-10 4.0859663999999994e-10 ] [ 6.5297464e-10 7.154508400000001e-10 2.8795724e-10 ] [ 1.00352464e-09 5.7753134e-10 2.7731444000000003e-10 ] [ 5.856280399999999e-10 6.9785144e-10 6.7980034e-10 ] [ 8.022413400000002e-10 7.4633084e-10 5.8584324e-10 ] [ 1.00644264e-09 6.7508624e-10 6.942254399999998e-10 ] [ 7.434685399999999e-10 9.742148400000001e-10 5.3351684e-10 ] [ 8.782833400000002e-10 1.03404964e-09 7.245331400000001e-10 ] [ 6.4954374e-10 6.1155304e-10 1.02274864e-09 ] [ 8.942998400000001e-10 6.104792400000001e-10 9.968206400000002e-10 ] [ 9.8498584e-10 9.5093244e-10 9.231209400000002e-10 ] [ 8.1046154e-10 1.00100564e-09 1.06967964e-09 ] ] "source-value" [ [ 0.7474348000000001 1.3566484 2.4661654 ] [ 3.7930074 1.3823234 0.9870934000000001 ] [ 2.5737724 3.3474354 0.767949 ] [ 3.7648994 4.815169399999999 2.1499764 ] [ 3.0137604 1.4107964 3.2564374 ] [ 0.5088250000000001 4.2596834 4.134125399999999 ] [ 2.7813774 3.6322814 3.9277604 ] [ 0.1382832 0.7145773000000001 6.9015154 ] [ 3.6051934 2.2632784 7.5728604 ] [ 5.050567399999999 0.3277409 7.6820704 ] [ 1.4727124 3.5669994 7.2343724 ] [ 4.2625904 3.5307784 5.7049524 ] [ 0.3298107 0.8699519 9.351267400000001 ] [ 2.2715364 0.08912199999999999 10.4293864 ] [ 1.1090834 4.8451154 9.1114294 ] [ 0.404481 3.0790644 10.5059364 ] [ 3.3529054 4.6064704 9.7055254 ] [ 5.191814399999999 3.5385334 8.747705400000001 ] [ 2.2743714 6.6393214 1.9588384 ] [ 0.6296184 7.8485834 0.7798822000000001 ] [ 1.4862824 9.821246400000001 1.8076434 ] [ 3.5755814 8.5946914 1.9677864 ] [ 4.8230694 8.9096154 0.01598693 ] [ 1.9380714 7.1030964 4.2243454 ] [ 5.003666399999999 6.413360399999999 4.620546399999999 ] [ 2.3549014 10.2595364 4.5353794 ] [ 0.5440255 8.889372400000001 3.9173834 ] [ 3.8541014 8.486995400000001 4.2980374 ] [ 1.2484134 5.595097399999999 5.9667584 ] [ 3.6811044 5.7701274 6.6082494 ] [ 2.8084744 7.4203914 8.310435400000001 ] [ 0.3466802 7.253635399999999 9.118672400000001 ] [ 4.170744399999999 6.746182399999999 10.1490864 ] [ 3.5592224 9.6026504 8.8681414 ] [ 5.726261399999999 2.4390064 0.052592 ] [ 7.5030264 3.3028134 1.4234364 ] [ 6.095663399999999 5.180199399999999 1.6534804 ] [ 9.4898854 4.477316399999999 0.8527513 ] [ 7.3980934 2.5336164 3.6568184 ] [ 10.3650864 1.1276694 4.5652574 ] [ 8.3976124 0.3427561 3.6161054 ] [ 6.4005564 4.3829354 4.952165399999999 ] [ 9.3361484 3.1353254 4.908195399999999 ] [ 6.9100414 1.0669064 6.4257824 ] [ 6.6587564 4.8499854 7.2999014 ] [ 8.9032674 4.9671784 7.9166624 ] [ 9.893426400000001 2.8875254 7.189401399999999 ] [ 8.1441614 1.6540974 8.3060294 ] [ 6.4788484 0.6125187000000001 9.5588894 ] [ 6.9144514 8.092672400000001 0.6861008000000001 ] [ 9.6321404 8.1146384 2.3571034 ] [ 9.7212584 10.4966864 1.6817724 ] [ 8.0826594 5.921741399999999 4.085966399999999 ] [ 6.5297464 7.1545084 2.8795724 ] [ 10.0352464 5.7753134 2.7731444 ] [ 5.856280399999999 6.9785144 6.7980034 ] [ 8.022413400000001 7.4633084 5.8584324 ] [ 10.0644264 6.7508624 6.942254399999999 ] [ 7.434685399999999 9.742148400000001 5.3351684 ] [ 8.782833400000001 10.3404964 7.2453314 ] [ 6.4954374 6.1155304 10.2274864 ] [ 8.9429984 6.1047924 9.968206400000001 ] [ 9.8498584 9.5093244 9.231209400000001 ] [ 8.1046154 10.0100564 10.6967964 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.025378757771354e-17 "source-value" -126.4142 } }