{ "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" [ [ 1.7726815 0.2356279 2.1324293 ] [ -0.4125313 -0.7092912 -0.3243866 ] [ 1.8688981 1.7529304 0.8164412 ] [ -1.917227 0.4920481 -3.8527955 ] [ 0.1931169 -0.0801923 -0.3652231 ] [ -2.6496319 0.9815453 -0.5232163 ] [ 3.5134636 -2.2821378 1.6682677 ] [ -2.3687698 -0.3905303 0.4484833 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.840148855424675e-09 3.775175125882003e-10 3.41652836996891e-09 ] [ -6.60948004208231e-10 -1.136409777979177e-09 -5.197246266208013e-10 ] [ 2.994304842477541e-09 2.808504104769593e-09 1.308083002897897e-09 ] [ -3.071736276166522e-09 7.883479621290605e-10 -6.172858874823447e-09 ] [ 3.094073822613715e-10 -1.284822282281798e-10 -5.851519121961005e-10 ] [ -4.245178283905884e-09 1.572608931916122e-09 -8.38284923481479e-10 ] [ 5.629189237951804e-09 -3.656387828603947e-09 2.672859506175788e-09 ] [ -3.795187593617092e-09 -6.256985163740103e-10 7.185494580792326e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.522341 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.370871102468529e-18 } }