{ "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" [ 5.47435 0 0 ] "si-unit" "m" "si-value" [ 5.474350000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.716605 5.34737 0 ] "si-unit" "m" "si-value" [ -7.16605e-11 5.34737e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.276149 -0.165536 5.69815 ] "si-unit" "m" "si-value" [ -2.76149e-11 -1.65536e-11 5.698150000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.269074 0.0407786 -0.111283 ] [ 1.40941 1.27172 1.01322 ] [ -0.306599 2.71071 2.41068 ] [ 1.07784 4.29368 3.98414 ] [ 2.55814 0.158673 3.18004 ] [ 3.994 1.24784 4.28471 ] [ 2.16355 2.62993 -0.160126 ] [ 3.70597 4.39593 1.80666 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69074e-11 4.07786e-12 -1.11283e-11 ] [ 1.40941e-10 1.27172e-10 1.01322e-10 ] [ -3.06599e-11 2.71071e-10 2.41068e-10 ] [ 1.07784e-10 4.29368e-10 3.98414e-10 ] [ 2.55814e-10 1.58673e-11 3.18004e-10 ] [ 3.994e-10 1.24784e-10 4.28471e-10 ] [ 2.16355e-10 2.62993e-10 -1.60126e-11 ] [ 3.70597e-10 4.39593e-10 1.80666e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0280133 -2.6397564 -3.1077798 ] [ 0.198786 -2.6276065 7.5729104 ] [ -0.1122471 0.1294045 -0.0463814 ] [ -14.3899274 -22.3013598 13.9584866 ] [ 11.9218875 20.5673433 -15.2517626 ] [ 2.5750839 0.6475165 1.3870308 ] [ 3.7221833 6.3538629 -4.5588853 ] [ 0.1122471 -0.1294045 0.0463814 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.453588790701231e-09 -4.229356023531957e-09 -4.979212179177192e-09 ] [ 3.18490284366324e-10 -4.209889737646521e-09 1.213314009425559e-08 ] [ -1.798396808542614e-10 2.07328866234453e-10 -7.43111953322076e-11 ] [ -2.305520544523637e-08 -3.573071757798691e-08 2.23639610765221e-08 ] [ 1.910096958567667e-08 3.295251685871645e-08 -2.443601766503508e-08 ] [ 4.125739255169592e-09 1.037435806429461e-09 2.222268338398327e-09 ] [ 5.963595110725013e-09 1.018001067401948e-08 -7.304139504746079e-09 ] [ 1.798396808542614e-10 -2.07328866234453e-10 7.43111953322076e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -6.6570068 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.066570074733911e-18 } }