{ "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" [ 5.52526 0 0 ] "si-unit" "m" "si-value" [ 5.52526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.163004 5.51064 0 ] "si-unit" "m" "si-value" [ 1.63004e-11 5.510640000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0929221 -0.0543858 5.47616 ] "si-unit" "m" "si-value" [ 9.29221e-12 -5.43858e-12 5.47616e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0515746 -0.0381365 -0.00729456 ] [ 1.44408 1.32704 1.45073 ] [ 0.0791767 2.70101 2.71983 ] [ 1.48556 4.06547 4.00394 ] [ 2.80111 0.011527 2.65388 ] [ 4.15958 1.27318 3.97985 ] [ 2.73428 2.80936 0.100172 ] [ 4.13679 4.02299 1.21489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.15746e-12 -3.81365e-12 -7.29456e-13 ] [ 1.44408e-10 1.32704e-10 1.45073e-10 ] [ 7.917670000000001e-12 2.70101e-10 2.71983e-10 ] [ 1.48556e-10 4.06547e-10 4.00394e-10 ] [ 2.80111e-10 1.1527e-12 2.65388e-10 ] [ 4.15958e-10 1.27318e-10 3.97985e-10 ] [ 2.73428e-10 2.80936e-10 1.00172e-11 ] [ 4.136790000000001e-10 4.02299e-10 1.21489e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.2291996 -0.0143006 -0.26938949999999995 ] [ -0.1793557 0.6433197 -0.8522541999999997 ] [ -0.6563728 -0.2332688 -0.6017406999999999 ] [ 1.0195841 0.2885888 0.5643391999999999 ] [ -0.6866876 -1.4025077 -0.023477699999999994 ] [ 0.7546463 0.8107298 1.2846510999999998 ] [ -0.8911829 -1.6282716 -1.9577587999999995 ] [ 1.8685683 1.5357105 1.8556304999999995 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.969394861416712e-09 -2.291208698341248e-11 -4.316095587890015e-10 ] [ -2.873595093472186e-10 1.03071178304007e-09 -1.365461754218607e-09 ] [ -1.051625154689034e-09 -3.737378177220711e-10 -9.640948813238264e-10 ] [ 1.63355380795941e-09 4.623702283847271e-10 9.041710724409752e-10 ] [ -1.100194818513262e-09 -2.24706504743198e-09 -3.761542205015615e-11 ] [ 1.209076658833223e-09 1.29893233134586e-09 2.058237958305003e-09 ] [ -1.427832407236744e-09 -2.608778689832609e-09 -3.136675378525463e-09 ] [ 2.993776444628e-09 2.460479459417078e-09 2.973047803943413e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.645107 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.871193370211443e-18 } }