{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.05856e-09 0.0 0.0 ] "source-value" [ 10.5856 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -5.4462e-10 9.064930000000001e-10 0.0 ] "source-value" [ -5.4462 9.06493 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.79622e-11 1.88792e-11 1.03176e-09 ] "source-value" [ -0.279622 0.188792 10.3176 ] } "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" 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-0.4183322 ] [ 7.9604878 0.3184929 5.0875249 ] [ 0.8433207 0.1114375 -2.8524341 ] [ 7.0690988 -2.3657827 2.3104825 ] [ -0.9689366 0.5304354 -0.1573685 ] [ 2.2096034 0.7279564 1.7083524 ] [ 2.7134706 -2.2428822 -2.1174488 ] [ 2.4108778 10.5893723 4.1016789 ] [ 1.3117921 0.1205178 0.7655106 ] [ 0.2030825 -0.7250325 -0.9829815 ] [ 5.6163728 6.979637 -2.992749 ] [ -1.5287385 1.9127404 -0.6980446 ] [ 3.5342338 1.9877697 -0.3811703 ] [ 8.8602378 -0.6388692 4.2166539 ] [ 2.1781415 0.6999913 0.9851149 ] [ 0.0646826 -3.2088851 -0.7404241 ] [ 4.7437502 -3.1749291 -4.6295038 ] [ -3.09191 -2.2897107 6.8198852 ] [ -0.7693595 -1.6302016 -0.9175225 ] [ -6.8324438 -0.4082231 -0.2154264 ] [ -1.9696302 3.8309283 -2.9486143 ] [ -8.4908799 2.3218967 5.6211991 ] [ -1.0934326 0.9982251 -0.5842727 ] [ 1.2172038 -1.8533173 -0.0340714 ] [ 1.4979546 -0.1402965 -0.0916735 ] [ 0.8685586 0.4356779 -12.3587151 ] [ 0.8946168 -2.6916272 13.4023222 ] [ 3.1624107 -0.8381893 -0.3596072 ] [ 1.2474825 2.6577421 1.7453735 ] [ -3.3374386 3.5490296 -4.8063214 ] [ -0.4945678 1.0618234 3.1785648 ] [ -0.3008164 0.7014648 -0.4681272 ] [ 1.0409003 0.2033605 -0.5007753 ] [ 3.267767 -1.6328852 0.2582242 ] [ 3.7163665 -1.0384921 -0.6100647 ] [ 7.5130763 -0.6004937 1.8958889 ] [ 7.6420125 4.9803388 -7.6960225 ] [ 3.9924977 1.2207743 3.6309133 ] [ 1.248299 2.110674 -0.0898529 ] [ -0.3628775 6.1544315 -0.1793801 ] [ 2.2101554 1.7515779 -0.0865083 ] [ -1.4307761 -1.1554039 -1.6551363 ] [ -0.7556349 0.7358945 0.2144949 ] [ -4.4917425 -4.3343079 -2.9548916 ] [ -2.6280509 -1.6575994 1.7213557 ] [ 0.076197 1.672947 3.2678099 ] [ -2.417491 -0.9240063 -0.2940565 ] [ -1.7585149 -0.9328697 -0.1076473 ] [ -6.4994183 -1.3553146 -5.8113196 ] [ -6.6321464 1.8907441 5.294491 ] [ -3.6472628 -0.2855695 -0.0601333 ] [ -5.9771169 -6.4577842 2.1183053 ] [ -2.6007527 -2.6496022 1.7031798 ] [ -0.3233209 -6.2277243 -1.0801928 ] [ -6.7922828 -9.2376016 -5.0143991 ] [ -2.4668759 -0.1696091 -0.3902072 ] [ -2.8354151 -2.5093054 -1.5850952 ] [ -1.6132634 -2.9343374 0.6745431 ] [ -3.5296696 -0.4992439 -0.4807852 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -6.8054199999999995e-12 1.63652e-11 2.55954e-11 ] [ 9.99824e-12 4.76252e-12 2.72693e-10 ] [ -1.18852e-11 1.28026e-11 4.88578e-10 ] [ -1.8182300000000002e-11 2.43541e-11 7.841840000000001e-10 ] [ -1.38184e-10 2.22897e-10 -1.0864600000000001e-11 ] [ -1.3011699999999999e-10 2.3941400000000004e-10 2.2938800000000003e-10 ] [ -1.7062e-10 2.39552e-10 4.81294e-10 ] [ -1.61019e-10 2.58763e-10 7.79003e-10 ] [ -2.70858e-10 4.54239e-10 -1.5184500000000003e-11 ] [ -2.6988400000000004e-10 4.68625e-10 2.76596e-10 ] [ -2.86548e-10 4.77395e-10 4.97841e-10 ] [ -2.99159e-10 4.6637e-10 7.94938e-10 ] [ -4.1901000000000003e-10 6.67321e-10 -3.9925899999999997e-11 ] [ -4.08937e-10 6.83628e-10 2.3230100000000002e-10 ] [ -4.1903e-10 6.93981e-10 5.23022e-10 ] [ -4.25869e-10 7.02167e-10 7.610280000000001e-10 ] [ 2.64946e-10 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2.36779 8.10593 ] [ 5.58447 4.85785 0.331316 ] [ 5.18105 4.71119 2.66831 ] [ 5.11347 4.91069 5.65221 ] [ 5.26259 5.22511 8.02551 ] [ 3.84325 6.8985 0.290269 ] [ 3.8973 7.01822 2.77996 ] [ 3.85324 7.1029 5.03452 ] [ 3.69095 7.15117 7.82626 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.935645150948501e-17 "source-value" -183.22856 } }