{ "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" [ 10.7458163 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0 10.7458163 0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0 0 10.7458163 ] } "unrelaxed-configuration-positions" { "source-unit" "angstrom" "source-value" [ [ 3.63039228442 2.6485433 2.3817393 ] [ 4.6984514364 2.0602883 0.3632915 ] [ 0.10428263252 3.7024723 0.6365344000000001 ] [ 2.26497214104 4.3373503 1.3896073 ] [ 0.432178958826 0.3467347 4.1902713 ] [ 2.34943552441 0.7078505 2.8475953 ] [ 1.944810064 3.0032843 5.1249333 ] [ 0.14166964785 3.8126313 3.8562603 ] [ 3.53047778706 4.3272873 3.9955753 ] [ 5.29282818944 3.4576103 5.2011923 ] [ 1.44399030003 0.9382018000000001 6.2299933 ] [ 4.85691426034 0.9936423 7.8140553 ] [ 3.61345836968 0.0430865 6.0798273 ] [ 1.72064122524 4.6080453 6.8217153 ] [ 5.18750024508 5.2008393 6.7618483 ] [ 0.9362983716900001 0.9676873 8.620056300000002 ] [ 2.74943117208 0.9728223000000001 10.2159763 ] [ 5.36765395045 3.7555163 9.5952353 ] [ 3.52768751484 4.5544333 8.332078300000001 ] [ 2.11157193762 7.8703653 2.0705083 ] [ 3.39853456462 6.3443863 0.7409701000000001 ] [ 2.01642854522 10.0669763 1.0022873 ] [ 1.03691108303 5.7863633 2.8237423 ] [ 0.594501663127 8.8077483 3.7058963 ] [ 4.21693933299 10.4111663 3.8279043 ] [ 3.92115738063 8.0974743 3.6241043 ] [ 1.99897368219 6.9541823 6.8661303 ] [ 0.05399985125199999 7.5134603 5.6338943 ] [ 5.15988426156 7.2518153 5.4747793 ] [ 3.73582100213 8.552062300000001 6.7599573 ] [ 0.540970309666 7.0176613 8.803051300000002 ] [ 2.89973847863 6.6789703 9.174192300000001 ] [ 4.89646859585 7.9527013 8.7021203 ] [ 4.30583526728 10.1130463 9.477583300000001 ] [ 7.84168312081 2.6966873 2.2543023 ] [ 6.02886849515 0.104893 0.2117531 ] [ 10.1285674978 2.3011743 2.3009653 ] [ 8.066494867480001 5.1844903 1.9420573 ] [ 7.73801655118 1.0806073 4.0161663 ] [ 7.15007526626 4.2086723 3.9459893 ] [ 9.019207111910001 3.8868193 5.2787383 ] [ 6.44695815021 1.5118583 6.0015583 ] [ 8.38036936764 2.4231813 7.0134143 ] [ 7.06999671548 4.2413483 7.9547283 ] [ 10.4469038569 5.0246153 7.8960023 ] [ 7.89557313072 0.439383 9.472140300000001 ] [ 8.365633612100002 2.7359463 9.3626413 ] [ 10.6689504885 3.0376633 9.145142300000002 ] [ 5.90675851139 8.096836300000001 2.4096163 ] [ 6.3948298781 5.3712863 0.2308239 ] [ 5.40521207524 7.4696243 0.2258559 ] [ 10.1873685741 5.8828213 1.1240493 ] [ 6.33062838843 10.4216663 2.6369273 ] [ 9.570826217150001 8.518025300000001 2.1835613 ] [ 10.4445247054 10.4368063 1.0591543 ] [ 7.88842304849 7.2200513 3.2928043 ] [ 8.247550902310001 9.489265300000001 4.0459903 ] [ 8.13043379956 7.5664853 7.6916833 ] [ 9.10033604674 6.0173143 6.2341493 ] [ 6.96691004229 8.6919243 5.9605783 ] [ 6.78446260319 10.4535363 7.5206113 ] [ 10.1776499462 8.7066633 7.5881043 ] [ 7.98100523705 5.9216803 9.376565300000001 ] [ 10.0615685932 10.1980863 9.479536300000001 ] ] } "unrelaxed-configuration-forces" { "source-unit" "eV/angstrom" "source-value" [ [ -0.219578 -0.122374 -0.48935 ] [ 0.288422 0.187443 -0.107054 ] [ 0.883343 0.042538 -1.36336 ] [ 0.452698 -0.255441 -0.055692 ] [ -0.239352 0.614361 -0.433645 ] [ 0.533832 0.22595 0.147632 ] [ -0.329205 0.35567 0.416416 ] [ 0.193474 0.240631 1.08053 ] [ -0.068293 0.248086 0.045686 ] [ 0.389258 0.034173 -0.133616 ] [ 0.297363 0.149516 0.207672 ] [ -0.526484 1.169629 0.081038 ] [ -0.003576 -0.040366 0.049294 ] [ 0.651568 -0.496348 -0.409721 ] [ -0.005773 0.109568 -0.25463 ] [ -0.015349 0.72865 -0.252383 ] [ -0.352019 -0.41329 -0.52067 ] [ -0.234034 -0.688473 0.218796 ] [ 0.01276 0.463021 -0.05001 ] [ 0.566873 0.096086 0.512395 ] [ -0.579888 -0.066122 -0.115954 ] [ -0.148949 0.0641 0.237463 ] [ 0.076398 -0.306253 0.943627 ] [ -0.582752 -0.573885 0.114828 ] [ 0.210453 0.367177 0.107539 ] [ 0.005504 -0.376623 -0.085266 ] [ -0.041705 0.030155 -1.119184 ] [ 0.671412 0.504936 -0.849544 ] [ 0.012003 -0.401258 -0.218265 ] [ -0.558266 -0.276993 -0.187568 ] [ 0.243282 -0.19324 1.286006 ] [ -0.054132 0.032502 0.832389 ] [ 0.016216 0.166299 0.354651 ] [ 0.65088 -0.461695 0.336649 ] [ -0.744496 -0.553558 -1.020968 ] [ 0.273681 0.214864 0.641988 ] [ 0.218333 -1.759752 -0.073808 ] [ -0.594493 0.067353 -0.08955 ] [ 0.010866 -0.312327 0.164287 ] [ -0.066354 0.15514 0.292282 ] [ 0.015658 0.353 -0.014689 ] [ 0.174865 0.614288 -0.506163 ] [ -0.07609 -0.042938 -0.468665 ] [ -0.100481 -0.072237 0.116938 ] [ 0.072899 -0.029407 0.794067 ] [ -0.109583 -0.206824 -0.047452 ] [ -0.286984 -0.130024 0.546083 ] [ -0.001917 0.186115 0.199913 ] [ 0.479672 -0.021688 -0.124133 ] [ 0.219889 0.05213 0.408929 ] [ -0.07123 -0.24613 0.07413 ] [ -0.9891 0.518424 -0.834161 ] [ -0.738883 0.492212 -0.447385 ] [ -0.09115 -0.145644 -0.059309 ] [ -0.301516 0.180063 -0.168936 ] [ -0.128732 -0.917691 -0.017631 ] [ 0.189611 0.457696 0.439757 ] [ -0.274317 -0.006434 -0.070568 ] [ 0.096571 -0.136881 -0.523177 ] [ 0.32668 0.244923 -0.070191 ] [ -0.048106 -0.552595 0.097573 ] [ -0.290926 0.269452 0.905944 ] [ 0.82258 -0.300453 -0.171565 ] [ -0.183332 0.470795 -0.300233 ] ] } "unrelaxed-potential-energy" { "source-unit" "eV" "source-value" -261.35864 } }