{ "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" [ [ -7.0516483 1.5392198 -5.5992756 ] [ -0.1667102 -1.7845672 4.7086962 ] [ -9.0652313 10.4508878 -3.7458286 ] [ -11.4547138 -17.4448822 10.4352795 ] [ 9.9707033 16.0684134 -10.722104 ] [ 5.8987378 -3.0443689 4.1896106 ] [ 2.8036312 4.6661851 -3.0122067 ] [ 9.0652313 -10.4508878 3.7458286 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.129798604436407e-08 2.466101977832452e-09 -8.971028459735892e-09 ] [ -2.670991848888921e-10 -2.859191846086518e-09 7.544162966089802e-09 ] [ -1.452410165100439e-08 1.674416809976395e-08 -6.001479008443994e-09 ] [ -1.835247464831513e-08 -2.794978241345007e-08 1.671916084641352e-08 ] [ 1.597482772019341e-08 2.574443628282944e-08 -1.717870435458616e-08 ] [ 9.450819795389228e-09 -4.877616676670613e-09 6.712496153575861e-09 ] [ 4.491912361985449e-09 7.47605267554531e-09 -4.82608715175712e-09 ] [ 1.452410165100439e-08 -1.674416809976395e-08 6.001479008443994e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.9231786 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.109215489454287e-18 } }