{ "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" [ [ -1.1105126 -1.2516432 -2.06584 ] [ -1.6064545 -0.4562082 6.7143244 ] [ 1.2627921 -0.8509543 2.7709009 ] [ -7.2464713 -9.5295595 6.0232569 ] [ 4.878916 7.0219853 -8.5078001 ] [ -0.4210377 2.4945227 0.3652467 ] [ 5.9366651 3.1211242 -2.8614384 ] [ -1.6938971 -0.549267 -2.4386502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.779237339482588e-09 -2.005353489144988e-09 -3.30984057758256e-09 ] [ -2.573823863484153e-09 -7.309261182791987e-10 1.075753366677607e-08 ] [ 2.023215996219791e-09 -1.363379096061826e-09 4.439472677109571e-09 ] [ -1.16101269958116e-08 -1.526803756321272e-08 9.650321465759274e-09 ] [ 7.816885214448744e-09 1.125046077195148e-08 -1.363099852696286e-08 ] [ -6.745767649731018e-10 3.996665982922592e-09 5.851897283856077e-10 ] [ 9.511586107103271e-09 5.000592265051943e-09 -4.584529744110346e-09 ] [ -2.713922354020361e-09 -8.800227532272778e-10 -3.907148368939427e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -25.44995529230348 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.077532370567327e-18 } }