{ "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" [ [ 0.3402389 0.2139732 0.3746994 ] [ 0.5970641 -0.5255245 0.1809476 ] [ 0.2858605 0.3915749 0.0920749 ] [ -0.549561 0.1030025 -1.9077409 ] [ -0.1378942 -0.3498029 -0.4093611 ] [ -1.3282277 1.0671432 0.3113776 ] [ 1.0865482 -0.8481423 0.8666897 ] [ -0.2940286 -0.052224 0.4913128 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.451228110667091e-10 3.428228585177626e-10 6.003346185077875e-10 ] [ 9.566021421389933e-10 -8.419830675576095e-10 2.899100143098701e-10 ] [ 4.579990099101984e-10 6.273721500720979e-10 1.475202521424979e-10 ] [ -8.804937859034687e-10 1.65028197383952e-10 -3.056537868523951e-09 ] [ -2.209308633839194e-10 -5.604460282680404e-10 -6.558687838849708e-10 ] [ -2.128055368038956e-09 1.709751886085699e-09 4.988819109608141e-10 ] [ 1.740842123412323e-09 -1.35887376417154e-09 1.388589974828166e-09 ] [ -4.710857487665549e-10 -8.36720718446592e-11 7.871698816597861e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 676.65878 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.084126877575051e-16 } }