{ "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" [ [ -3.7343489 -4.3568197 -3.7996411 ] [ -1.642958 -2.0481902 12.1520735 ] [ 1.2986985 -0.7012512 2.0687211 ] [ -19.1835513 -28.4035323 18.5267491 ] [ 15.5334348 23.6885572 -22.5638871 ] [ -1.2578254 5.6482305 3.9702543 ] [ 9.6958362 5.709052 -9.0182017 ] [ -0.7092859 0.4639538 -1.336068 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.983086550783602e-09 -6.980394721890889e-09 -6.087696188006057e-09 ] [ -2.632308918243372e-09 -3.281562480427786e-09 1.94697682163506e-08 ] [ 2.080744391310849e-09 -1.123528287204461e-09 3.314456608682777e-09 ] [ -3.073543765000032e-08 -4.550747577412427e-08 2.968312451200053e-08 ] [ 2.488730628232246e-08 3.795325283901246e-08 -3.615133268383401e-08 ] [ -2.015258465531703e-09 9.049462930546136e-09 6.361048670498026e-09 ] [ 1.553444220673135e-08 9.146909716690966e-09 -1.444875204443908e-08 ] [ -1.13640129580566e-09 7.433359376155091e-10 -2.140616931035112e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.618793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143277173188276e-18 } }