{ "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" [ 5.39006 0 0 ] "si-unit" "m" "si-value" [ 5.39006e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.23331 5.36322 0 ] "si-unit" "m" "si-value" [ 2.3331e-11 5.36322e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.160148 -0.0213292 5.4933 ] "si-unit" "m" "si-value" [ -1.60148e-11 -2.13292e-12 5.4933e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.105355 0.0424721 -0.0304949 ] [ 1.33629 1.36991 1.45967 ] [ -0.05353 2.71357 2.83859 ] [ 1.26119 4.17265 4.20892 ] [ 2.69817 -0.0783338 2.63037 ] [ 3.99124 1.24872 4.05842 ] [ 2.76699 2.61469 0.0747626 ] [ 4.02836 3.96527 1.47431 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.05355e-11 4.24721e-12 -3.04949e-12 ] [ 1.33629e-10 1.36991e-10 1.45967e-10 ] [ -5.353e-12 2.71357e-10 2.83859e-10 ] [ 1.26119e-10 4.17265e-10 4.20892e-10 ] [ 2.69817e-10 -7.83338e-12 2.63037e-10 ] [ 3.99124e-10 1.24872e-10 4.05842e-10 ] [ 2.76699e-10 2.61469e-10 7.47626e-12 ] [ 4.02836e-10 3.96527e-10 1.47431e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.0595705 -1.5676184 -3.4167742 ] [ -0.0955048 -0.3270473 0.5460587 ] [ -0.2351233 0.2824784 -0.490627 ] [ -3.6429478 2.6906644 3.2512501 ] [ 3.2607221 -1.8099732 -3.4933923 ] [ 0.1843377 -0.6871469 -0.1134789 ] [ 0.5674668 -0.0844625 0.3624131 ] [ -3.098521 1.5031056 3.3545504 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.901972365175696e-09 -2.511601571508465e-09 -5.474275786894041e-09 ] [ -1.530155589948432e-10 -5.239875422727881e-10 8.748824899324156e-10 ] [ -3.767090573689721e-10 4.525802920897056e-10 -7.860711154095178e-10 ] [ -5.836645844041705e-09 4.310919631615629e-09 5.209076941510163e-09 ] [ 5.224252758587412e-09 -2.899896769206208e-09 -5.597031516455518e-09 ] [ 2.953415557053017e-10 -1.100930707305535e-09 -1.818132420320226e-10 ] [ 9.091820475307512e-10 -1.35323843949225e-10 5.806498006755053e-10 ] [ -4.964377946158313e-09 2.40824067075455e-09 5.374582268455353e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 0.44594939843752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.144897061229506e-20 } }