{ "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" [ [ -3.2868536 -4.1325673 -3.3056219 ] [ -1.5790164 -1.3335744 10.1046556 ] [ 1.6040811 -1.310908 2.5621466 ] [ -14.9828669 -20.0781245 12.23023 ] [ 9.8883396 15.7071375 -16.0892475 ] [ 2.2918728 4.6353667 1.6729969 ] [ 8.0372867 6.8690705 -4.5254747 ] [ -1.9728433 -0.3564005 -2.649685 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.266119993912315e-09 -6.62110271194258e-09 -5.296190125384475e-09 ] [ -2.529863159939781e-09 -2.136621725777388e-09 1.618944296355579e-08 ] [ 2.570021236287147e-09 -2.100306149619687e-09 4.10501138158221e-09 ] [ -2.400519905973817e-08 -3.216870166341169e-08 1.959498857300678e-08 ] [ 1.584286652565082e-08 2.516560848219096e-08 -2.577781619076485e-08 ] [ 3.671985018007434e-09 7.426676155574847e-09 2.680436519850876e-09 ] [ 1.287715284540678e-08 1.100546416172697e-08 -7.250609762361895e-09 ] [ -3.160843411761921e-09 -5.710165487414304e-10 -4.245263359484448e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.651918 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.308802019427869e-18 } }