{ "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" [ 5.49393 0 0 ] "si-unit" "m" "si-value" [ 5.49393e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.002595 5.45604 0 ] "si-unit" "m" "si-value" [ 2.595e-13 5.45604e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0698117 0.0748179 5.57684 ] "si-unit" "m" "si-value" [ -6.981170000000001e-12 7.48179e-12 5.57684e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0568347 0.000259582 0.0366732 ] [ 1.4042 1.34788 1.25876 ] [ -0.0116956 2.70772 2.89683 ] [ 1.4664 4.01047 4.21293 ] [ 2.72042 0.0465962 2.58375 ] [ 4.04434 1.40284 4.02526 ] [ 2.59741 2.72967 0.138309 ] [ 4.11134 4.10597 1.37335 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -5.683470000000001e-12 2.59582e-14 3.66732e-12 ] [ 1.4042e-10 1.34788e-10 1.25876e-10 ] [ -1.16956e-12 2.70772e-10 2.89683e-10 ] [ 1.4664e-10 4.01047e-10 4.21293e-10 ] [ 2.72042e-10 4.65962e-12 2.583750000000001e-10 ] [ 4.04434e-10 1.40284e-10 4.02526e-10 ] [ 2.59741e-10 2.72967e-10 1.38309e-11 ] [ 4.11134e-10 4.10597e-10 1.37335e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.9518406 -0.5499324 -2.2507294 ] [ -3.3852128 -0.7159593 2.9750438 ] [ 1.0661824 0.6564689 -2.5653195 ] [ -2.6838208 2.9434844 -1.3409453 ] [ 0.4148834 -1.0437814 2.1534136 ] [ -1.1713346 -0.547836 2.6028332 ] [ 4.8071692 0.1158516 -2.289003 ] [ 0.0002926 -0.858296 0.7147066 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.52501676861254e-09 -8.810888415595415e-10 -3.606066054136839e-09 ] [ -5.423708849277715e-09 -1.147093261354996e-09 4.766545661486569e-09 ] [ 1.708212528862041e-09 1.051779132527683e-09 -4.110094961644563e-09 ] [ -4.299954975603186e-09 4.715981928223509e-09 -2.14843122713212e-09 ] [ 6.647164893144755e-10 -1.672322170083807e-09 3.450148953257822e-09 ] [ -1.876684926715736e-09 -8.777300384640239e-10 4.170198535239449e-09 ] [ 7.701934167924471e-09 1.856147265315144e-10 -3.667387121755902e-09 ] [ 4.687968831084e-13 -1.375141796255664e-09 1.145086214685584e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.978418 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.6041604013885e-18 } }