{ "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" [ 10.6701701 0 0 ] "si-unit" "m" "si-value" [ 1.06701701e-09 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.6701701 0 ] "si-unit" "m" "si-value" [ 0.0 1.06701701e-09 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.6701701 ] "si-unit" "m" "si-value" [ 0.0 0.0 1.06701701e-09 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.5592951 1.9794121 2.2696171 ] [ 4.786856100000001 2.2212181 0.01705 ] [ 0.1437485 3.4407191 1.1797641 ] [ 5.3925311 3.8378731 1.6815471 ] [ 2.2998621 1.9395301 5.324194100000001 ] [ 0.732897 0.3566806 4.7274141 ] [ 3.7197951 3.1867261 3.989981100000001 ] [ 4.2013841 0.1586136 7.4664321 ] [ 2.9084461 2.0645931 7.5867061 ] [ 0.6038844 3.5337741 5.5353541 ] [ 4.8702701 3.2787761 7.3412221 ] [ 3.8538651 4.6818861 5.7708931 ] [ 2.6460151 1.6115221 9.892104100000001 ] [ 2.0877551 3.9072891 10.3712801 ] [ 4.3947391 4.2249951 9.4168251 ] [ 0.8560414 7.288648100000001 2.2050211 ] [ 2.3117611 5.7574271 1.1775341 ] [ 4.594337100000001 6.0917371 1.3322041 ] [ 2.0619201 10.4149201 1.7177691 ] [ 4.5687061 7.433829100000001 3.2620921 ] [ 2.4502981 8.608763100000001 3.2225631 ] [ 4.8159631 10.7601101 3.2415071 ] [ 4.3761031 9.7722751 5.4178001 ] [ 0.7410177 7.1236831 5.4994591 ] [ 2.3232711 6.0661001 6.9438151 ] [ 1.9766151 9.1822371 5.541502100000001 ] [ 2.5505321 9.2943721 7.9840941 ] [ 1.9249821 7.0248011 9.9254501 ] [ 0.9806991 5.2597391 8.7116671 ] [ 4.0200641 7.4664971 7.8649491 ] [ 5.2317821 7.2608791 9.9773801 ] [ 3.0065501 9.9652601 10.2609701 ] [ 6.0954661 0.4184692 1.2389151 ] [ 9.8470151 1.5180311 2.2011311 ] [ 7.5221141 3.6788041 0.6291426999999999 ] [ 5.6199621 1.9093231 4.4538971 ] [ 9.6933551 1.7619481 5.4575951 ] [ 7.7867751 5.1230431 5.2396631 ] [ 8.6468401 3.1102601 3.8033081 ] [ 10.5189101 4.412778100000001 3.3683691 ] [ 6.6717541 1.9193681 6.5848851 ] [ 8.1455591 3.2721591 7.7920431 ] [ 10.3564401 2.5753501 7.5693381 ] [ 6.4255111 0.2784291 8.388679100000001 ] [ 7.7754071 1.8896471 9.6269621 ] [ 9.6213571 0.6473222 8.7374831 ] [ 7.6349061 7.0054151 1.6158971 ] [ 7.856842100000001 9.3634861 1.4108211 ] [ 10.7662301 8.1559701 0.1797261 ] [ 10.7064301 10.4591601 0.6209655 ] [ 5.5690371 5.9814211 4.8795761 ] [ 9.5052611 6.542518100000001 3.0084401 ] [ 6.159315100000001 8.9873381 4.0532111 ] [ 9.734138100000001 9.8536241 2.6557041 ] [ 5.7349191 7.9339821 6.2109331 ] [ 7.5031051 5.5021871 7.5420981 ] [ 8.9833401 7.2244821 5.2039371 ] [ 8.3490471 9.8787611 7.3967521 ] [ 10.0527201 8.2112591 7.1365131 ] [ 6.5796961 5.2517281 9.7027281 ] [ 9.4849571 6.3649191 8.5139271 ] [ 8.4927911 7.9724951 10.1767901 ] [ 8.7911961 5.6284261 10.7231901 ] [ 5.3296281 9.6713601 10.2021401 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.5592950999999999e-10 1.9794121e-10 2.2696171e-10 ] [ 4.786856100000001e-10 2.2212181000000003e-10 1.705e-12 ] [ 1.4374850000000001e-11 3.4407191e-10 1.1797641000000002e-10 ] [ 5.392531100000001e-10 3.8378731e-10 1.6815471e-10 ] [ 2.2998621e-10 1.9395301e-10 5.324194100000001e-10 ] [ 7.328970000000001e-11 3.566806e-11 4.7274141e-10 ] [ 3.7197951e-10 3.1867261e-10 3.9899811000000013e-10 ] [ 4.2013841000000006e-10 1.586136e-11 7.466432099999999e-10 ] [ 2.9084461e-10 2.0645931000000003e-10 7.586706100000001e-10 ] [ 6.038844e-11 3.5337741e-10 5.535354100000001e-10 ] [ 4.8702701e-10 3.2787761e-10 7.341222100000001e-10 ] [ 3.8538651e-10 4.6818861e-10 5.7708931e-10 ] [ 2.6460151e-10 1.6115221e-10 9.892104100000001e-10 ] [ 2.0877550999999998e-10 3.9072891e-10 1.03712801e-09 ] [ 4.3947391e-10 4.2249951000000003e-10 9.4168251e-10 ] [ 8.560413999999999e-11 7.288648100000001e-10 2.2050211000000003e-10 ] [ 2.3117611000000001e-10 5.7574271e-10 1.1775341e-10 ] [ 4.5943371000000007e-10 6.0917371e-10 1.3322041e-10 ] [ 2.0619201e-10 1.04149201e-09 1.7177691e-10 ] [ 4.5687061e-10 7.433829100000002e-10 3.2620921e-10 ] [ 2.4502981e-10 8.608763100000001e-10 3.2225631e-10 ] [ 4.815963100000001e-10 1.07601101e-09 3.2415071e-10 ] [ 4.3761031e-10 9.7722751e-10 5.4178001e-10 ] [ 7.410177000000001e-11 7.1236831e-10 5.4994591e-10 ] [ 2.3232711e-10 6.0661001e-10 6.9438151e-10 ] [ 1.9766151000000002e-10 9.1822371e-10 5.541502100000001e-10 ] [ 2.5505321e-10 9.2943721e-10 7.9840941e-10 ] [ 1.9249821000000002e-10 7.0248011e-10 9.925450100000002e-10 ] [ 9.806991e-11 5.2597391e-10 8.7116671e-10 ] [ 4.0200641e-10 7.466497100000001e-10 7.8649491e-10 ] [ 5.2317821e-10 7.2608791e-10 9.9773801e-10 ] [ 3.0065501000000003e-10 9.9652601e-10 1.02609701e-09 ] [ 6.0954661e-10 4.184692e-11 1.2389151e-10 ] [ 9.8470151e-10 1.5180311e-10 2.2011311e-10 ] [ 7.5221141e-10 3.6788041e-10 6.291427e-11 ] [ 5.619962100000001e-10 1.9093231e-10 4.4538971e-10 ] [ 9.6933551e-10 1.7619480999999999e-10 5.4575951e-10 ] [ 7.7867751e-10 5.1230431e-10 5.2396631e-10 ] [ 8.6468401e-10 3.1102601e-10 3.8033081e-10 ] [ 1.05189101e-09 4.4127781000000007e-10 3.3683691e-10 ] [ 6.671754100000001e-10 1.9193681000000002e-10 6.5848851e-10 ] [ 8.1455591e-10 3.2721591e-10 7.7920431e-10 ] [ 1.03564401e-09 2.5753501e-10 7.569338100000001e-10 ] [ 6.4255111e-10 2.784291e-11 8.388679100000001e-10 ] [ 7.7754071e-10 1.8896471e-10 9.6269621e-10 ] [ 9.6213571e-10 6.473222e-11 8.7374831e-10 ] [ 7.6349061e-10 7.005415099999999e-10 1.6158971e-10 ] [ 7.856842100000001e-10 9.3634861e-10 1.4108211e-10 ] [ 1.07662301e-09 8.1559701e-10 1.797261e-11 ] [ 1.0706430100000001e-09 1.04591601e-09 6.209655e-11 ] [ 5.5690371e-10 5.981421100000001e-10 4.8795761e-10 ] [ 9.5052611e-10 6.542518100000001e-10 3.0084401e-10 ] [ 6.159315100000001e-10 8.987338100000001e-10 4.0532111000000004e-10 ] [ 9.7341381e-10 9.8536241e-10 2.6557041e-10 ] [ 5.7349191e-10 7.9339821e-10 6.2109331e-10 ] [ 7.503105100000001e-10 5.5021871e-10 7.5420981e-10 ] [ 8.9833401e-10 7.2244821e-10 5.2039371e-10 ] [ 8.349047100000001e-10 9.878761100000002e-10 7.3967521e-10 ] [ 1.00527201e-09 8.2112591e-10 7.136513100000001e-10 ] [ 6.5796961e-10 5.251728100000001e-10 9.702728100000001e-10 ] [ 9.4849571e-10 6.3649191e-10 8.513927100000001e-10 ] [ 8.492791100000001e-10 7.9724951e-10 1.01767901e-09 ] [ 8.791196100000001e-10 5.6284261e-10 1.07231901e-09 ] [ 5.3296281e-10 9.6713601e-10 1.02021401e-09 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 9.0852909 -2.0569835 5.844624 ] [ 1.9458323 -1.8873624 -0.1403864 ] [ -2.627796 8.6173756 -6.2312098 ] [ -2.1829188 1.3245637 2.5989196 ] [ 0.0758154 0.4778516 0.6270362 ] [ -1.1598605 -2.9457336 -3.975745 ] [ -0.6076941 1.2315466 -4.5675676 ] [ 2.4061002 1.6229288 0.3887449 ] [ -0.2459695 0.3548749 -0.4812792 ] [ 4.6590987 5.6871763 -2.4862629 ] [ -0.7390014 1.4106253 -1.4229313 ] [ 1.3587712 0.9322943 0.9866138 ] [ -1.806448 -0.8007456 0.5971359 ] [ -2.7297961 1.198328 -0.512089 ] [ 0.8917615 1.1346967 0.1092863 ] [ -0.9028695 0.5594561 -0.1262742 ] [ 1.1555491 -1.295056 2.2881733 ] [ 2.0745244 0.3905946 0.2075586 ] [ 4.2478584 -1.4158578 1.4922451 ] [ -1.3634608 -0.3817149 -1.6375278 ] [ 1.4481398 0.5404283 1.5528001 ] [ -3.1322914 2.6530946 -4.6065916 ] [ -7.9129131 1.205041 4.5628848 ] [ 5.457208 -1.5343641 -2.9035162 ] [ -0.5448306 -1.5310438 -0.6888397 ] [ -0.1720558 -0.0205109 -0.8192751 ] [ -2.6941826 -1.7874474 0.1614814 ] [ 2.1981843 3.3830034 -1.5662517 ] [ -1.762165 -2.4272451 -2.1196666 ] [ 0.3035553 -0.7972262 0.627848 ] [ 0.3084563 -0.5019263 0.2659799 ] [ 0.4706693 -1.9333343 0.9125716 ] [ 1.5273516 0.4043768 0.9081344 ] [ -7.3245627 1.5419167 3.2659075 ] [ 1.396513 -4.4061859 2.3017622 ] [ 2.2887699 1.5738397 -2.1839455 ] [ -6.5046039 -5.1593347 -1.4796313 ] [ 0.0990917 -1.0313238 -3.5583463 ] [ -4.5211694 -0.9270085 0.3338756 ] [ 1.5511077 2.5225112 -0.9660151 ] [ 0.7855379 -1.0398563 0.5485862 ] [ 0.2107927 1.6305872 -0.5074368 ] [ 1.8447765 2.3727852 5.7337073 ] [ -1.9435644 -1.5448163 1.4579201 ] [ -2.4958252 0.1362064 3.6114177 ] [ 3.5797528 -1.614101 4.5470289 ] [ -3.9746887 -2.9727724 5.4395515 ] [ -2.8952209 3.3677246 1.3878057 ] [ -0.9321812 1.0472436 -0.4874828 ] [ 0.7113419 -0.0934858 -8.9254928 ] [ -0.7318162 -1.1035119 0.2592936 ] [ -0.6164961 -0.997543 0.8328398 ] [ 9.5843987 -2.2689726 -6.4780868 ] [ 0.6031555 -4.1430726 6.7062106 ] [ 2.1232588 -2.667815 5.1239587 ] [ 1.0074269 1.8620472 2.0719928 ] [ -5.2015757 0.1323761 -2.4646313 ] [ -1.4781446 -0.5343906 -2.7955623 ] [ 1.1430785 1.1288573 5.2997133 ] [ -3.6694364 1.5097521 -1.5091795 ] [ 1.2340661 -1.3933946 -3.2107402 ] [ -0.4390885 5.7059998 -5.7754711 ] [ 5.4109998 -4.358444 2.6624844 ] [ 0.1243922 -0.0875229 -1.0886578 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.4556240793072831e-08 -3.2956509002235387e-09 9.364120007315616e-09 ] [ 3.117567044742478e-09 -3.0238879371701617e-09 -2.249238098113776e-10 ] [ -4.210193350118664e-09 1.3806557832721732e-08 -9.983498743111814e-09 ] [ -3.4974214952793193e-09 2.1221850103845856e-09 4.163928256764626e-09 ] [ 1.2146966237736362e-10 7.656026680395144e-10 1.0046227483121508e-09 ] [ -1.858301391799557e-09 -4.719585543908703e-09 -6.36984574174233e-09 ] [ -9.736332876396594e-10 1.9731551862021443e-09 -7.318050082935459e-09 ] [ 3.8549975195027265e-09 2.600218602005659e-09 6.228379953666666e-10 ] [ -3.9408658557666304e-10 5.685722727730866e-10 -7.710942886702128e-10 ] [ 7.464699072639776e-09 9.111860981298574e-09 -3.983432324361078e-09 ] [ -1.1840107755732876e-09 2.26007089498924e-09 -2.279787280647244e-09 ] [ 2.176991467592141e-09 1.4937001434713862e-09 1.580729577141949e-09 ] [ -2.894248776136032e-09 -1.2829358900983102e-09 9.567171863025606e-10 ] [ -4.3736155270043275e-09 1.919933121467952e-09 -8.20457030328426e-10 ] [ 1.428759438400791e-09 1.8179845394169077e-09 1.7509595627631422e-10 ] [ -1.446556416451263e-09 8.963474911687674e-10 -2.023135727170428e-10 ] [ 1.8513937674597294e-09 -2.074908462921504e-09 3.6660577958026723e-09 ] [ 3.3237545203428698e-09 6.258015414865764e-10 3.325455391057524e-10 ] [ 6.805819473020626e-09 -2.268454284226645e-09 2.3908402314209937e-09 ] [ -2.184505035134947e-09 -6.115746936296466e-10 -2.6236087786854253e-09 ] [ 2.320175750325433e-09 8.658615946123421e-10 2.4878600374928634e-09 ] [ -5.018484091959148e-09 4.2507261759115765e-09 -7.380573423900674e-09 ] [ -1.2677884475692506e-08 1.930688533211994e-09 7.310547410193763e-09 ] [ 8.743411144477872e-09 -2.458322309068439e-09 -4.651945812080471e-09 ] [ -8.729148568082005e-10 -2.4530026019905693e-09 -1.1036428719115698e-09 ] [ -2.756637825041772e-10 -3.28620847223106e-11 -1.3126234220380135e-09 ] [ -4.316556409449369e-09 -2.8638064587840517e-09 2.587217259056076e-10 ] [ 3.521879522685646e-09 5.420169000222556e-09 -2.509411876702778e-09 ] [ -2.82329958825261e-09 -3.888875384210993e-09 -3.3960802983902244e-09 ] [ 4.863492087868602e-10 -1.2772971896526108e-09 1.0059233953036318e-09 ] [ 4.942014764700942e-10 -8.041745898500742e-10 4.2614678089365657e-10 ] [ 7.540953548011363e-10 -3.0975430411707463e-09 1.4621008943719945e-09 ] [ 2.4470870454225144e-09 6.478830602916912e-10 1.4549917162116095e-09 ] [ -1.1735243212207952e-08 2.4704229083143877e-09 5.232560685305355e-09 ] [ 2.2374604976772417e-09 -7.05948809404026e-09 3.687829613864435e-09 ] [ 3.6670136543825167e-09 2.5215691930015695e-09 -3.4990664500294473e-09 ] [ -1.0421524382005273e-08 -8.2661655033254e-09 -2.3706306957950442e-09 ] [ 1.587624063633378e-10 -1.6523628944480892e-09 -5.701099297540355e-09 ] [ -7.2437119710357996e-09 -1.485231358219389e-09 5.349276849827304e-10 ] [ 2.4851485137574816e-09 4.041508503643301e-09 -1.5477268213111734e-09 ] [ 1.2585704685014287e-09 -1.6660334665776943e-09 8.789319913748509e-10 ] [ 3.377271385577718e-10 2.6124887115394846e-09 -8.130033841917312e-10 ] [ 2.955657803252301e-09 3.801621004941017e-09 9.186411862255228e-09 ] [ -3.1139334683542296e-09 -2.4750685796823342e-09 2.3358455184589433e-09 ] [ -3.998752817988377e-09 2.182267114812576e-10 5.786129054554022e-09 ] [ 5.735396291656076e-09 -2.586074907116034e-09 7.285143457702722e-09 ] [ -6.368153362563836e-09 -4.762906477480102e-09 8.715122312739652e-09 ] [ -4.63865527624845e-09 5.395689663866996e-09 2.2235098650720135e-09 ] [ -1.493518937294081e-09 1.6778692260260426e-09 -7.810335516368952e-10 ] [ 1.1396953709651646e-09 -1.497807643707972e-10 -1.4300216011095237e-08 ] [ -1.172498816022671e-09 -1.7680209815209445e-09 4.154341472657424e-10 ] [ -9.877356463721275e-10 -1.5982400860102619e-09 1.3343564674252332e-09 ] [ 1.5355899648079975e-08 -3.6352948829062288e-09 -1.0379039303983832e-08 ] [ 9.663616487685868e-10 -6.637934112685629e-09 1.074453392600312e-08 ] [ 3.401835637294879e-09 -4.27431085683471e-09 8.209486902721016e-09 ] [ 1.6140758396430546e-09 2.9833285152451246e-09 3.319698449976235e-09 ] [ -8.333843046522194e-09 2.120898943200474e-10 -3.948774680285045e-09 ] [ -2.3682487397932765e-09 -8.561881327492405e-10 -4.478984595951298e-09 ] [ 1.8314136635277691e-09 1.808628789180328e-09 8.491076816159032e-09 ] [ -5.879085260029078e-09 2.4188895377524313e-09 -2.4179721314118028e-09 ] [ 1.9771918702315073e-09 -2.232464270061776e-09 -5.144172926284487e-09 ] [ -7.03497334958109e-10 9.142019553168673e-09 -9.253324846762276e-09 ] [ 8.669377446138673e-09 -6.982997137397497e-09 4.265770294069509e-09 ] [ 1.992982762918548e-10 -1.402271453199186e-10 -1.7442220895818453e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -231.43097 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.707932925179549e-17 } }