{ "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" ] } "unrelaxed-periodic-cell-vector-1" { "source-unit" "angstrom" "source-value" [ 5.40534 0 0 ] "si-unit" "m" "si-value" [ 5.40534e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0241155 5.39517 0 ] "si-unit" "m" "si-value" [ 2.41155e-12 5.395170000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0520891 0.00914509 5.32386 ] "si-unit" "m" "si-value" [ -5.20891e-12 9.14509e-13 5.32386e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0541257 0.0304247 -0.104173 ] [ 1.34 1.36746 1.32858 ] [ -0.0983731 2.60813 2.63031 ] [ 1.3236 4.08084 4.09012 ] [ 2.69861 0.0115312 2.71277 ] [ 4.03614 1.39677 4.05029 ] [ 2.56533 2.8449 0.01686 ] [ 4.17154 4.11014 1.29552 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.41257e-12 3.04247e-12 -1.04173e-11 ] [ 1.34e-10 1.36746e-10 1.32858e-10 ] [ -9.837310000000001e-12 2.60813e-10 2.63031e-10 ] [ 1.3236e-10 4.08084e-10 4.09012e-10 ] [ 2.69861e-10 1.15312e-12 2.71277e-10 ] [ 4.03614e-10 1.39677e-10 4.05029e-10 ] [ 2.56533e-10 2.8449e-10 1.686e-12 ] [ 4.17154e-10 4.11014e-10 1.29552e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.2694547 0.0631776 1.5966792 ] [ -0.207529 -0.4178594 -0.1509512 ] [ 1.2234705 1.1389382 0.3534682 ] [ -1.3597715 0.7418396 -2.8733544 ] [ 0.1283401 -0.0188277 -0.2300574 ] [ -1.9001249 0.6550313 -0.631167 ] [ 2.5830248 -1.8237625 1.5246717 ] [ -1.7368646 -0.338537 0.4107108 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.033890641504678e-09 1.012216736782541e-10 2.558162085157647e-09 ] [ -3.324981119380032e-10 -6.694845614615155e-10 -2.41850483521705e-10 ] [ 1.960215831338487e-09 1.824780156576034e-09 5.663184862362586e-10 ] [ -2.178594106930147e-09 1.188558063503624e-09 -4.603621242952812e-09 ] [ 2.056235077311341e-10 -3.016530076343616e-11 -3.685925877220339e-10 ] [ -3.044335691379938e-09 1.049475834752231e-09 -1.011241011220474e-09 ] [ 4.138461945506596e-09 -2.92198963939176e-09 2.442793352135391e-09 ] [ -2.782763855615144e-09 -5.423960666757696e-10 6.580312416700646e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.174515 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.795796220177891e-18 } }