{ "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" [ 5.42446 0 0 ] "si-unit" "m" "si-value" [ 5.42446e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.00225581 5.46076 0 ] "si-unit" "m" "si-value" [ -2.25581e-13 5.46076e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0117255 0.0343157 5.56103 ] "si-unit" "m" "si-value" [ -1.17255e-12 3.43157e-12 5.56103e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0182071 0.00139191 0.0164222 ] [ 1.32892 1.32964 1.49498 ] [ -0.00509802 2.67752 2.7579 ] [ 1.15566 4.0451 4.18086 ] [ 2.64397 0.106198 2.73506 ] [ 4.03699 1.34406 4.11378 ] [ 2.695 2.72586 0.109097 ] [ 4.00933 4.13019 1.43696 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.82071e-12 1.39191e-13 1.64222e-12 ] [ 1.32892e-10 1.32964e-10 1.49498e-10 ] [ -5.098020000000001e-13 2.67752e-10 2.7579e-10 ] [ 1.15566e-10 4.0451e-10 4.18086e-10 ] [ 2.64397e-10 1.06198e-11 2.73506e-10 ] [ 4.036990000000001e-10 1.34406e-10 4.11378e-10 ] [ 2.695e-10 2.72586e-10 1.09097e-11 ] [ 4.009330000000001e-10 4.13019e-10 1.43696e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.9925752 -0.0464473 0.2094185 ] [ -0.4486421 0.904188 -2.1627919 ] [ -1.3568313 0.56554 0.1160191 ] [ 2.2815097 0.6497664 0.2027745 ] [ 0.3839421 -2.4573648 1.768145 ] [ -0.0645594 0.6760722 1.2871766 ] [ -0.4153558 -0.3371058 -1.2493848 ] [ 0.6125119 0.0453514 -0.1713568 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.590280779825884e-09 -7.441677815928384e-11 3.355254246630048e-10 ] [ -7.188038837266156e-10 1.448668874407911e-09 -3.465174617835612e-09 ] [ -2.173883387229671e-09 9.06094966127232e-10 1.858830895862573e-10 ] [ 3.655381501468422e-09 1.041040535061381e-09 3.248805631944096e-10 ] [ 6.151430563608557e-10 -3.937132431336868e-09 2.832880581184416e-09 ] [ -1.034355613328755e-10 1.083187072812822e-09 2.062284255360833e-09 ] [ -6.654733520736807e-10 -5.401030314960807e-10 -2.001735116942884e-09 ] [ 9.813522461417875e-10 7.266095280054912e-11 -2.745438587751015e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.072737 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.779489586966713e-18 } }