{ "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" [ 5.34161 0 0 ] "si-unit" "m" "si-value" [ 5.341610000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0977669 5.5284 0 ] "si-unit" "m" "si-value" [ -9.776690000000001e-12 5.5284e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.072801 -0.0524088 5.47046 ] "si-unit" "m" "si-value" [ -7.280100000000001e-12 -5.24088e-12 5.470460000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0796719 -0.127908 0.00668105 ] [ 1.22031 1.46092 1.38882 ] [ -0.251468 2.67688 2.66146 ] [ 1.14494 4.10147 3.98362 ] [ 2.6636 -0.086404 2.79747 ] [ 4.00012 1.38046 4.02333 ] [ 2.71061 2.85329 -0.00699576 ] [ 4.09739 4.08725 1.448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -7.967190000000001e-12 -1.27908e-11 6.68105e-13 ] [ 1.22031e-10 1.46092e-10 1.38882e-10 ] [ -2.51468e-11 2.67688e-10 2.66146e-10 ] [ 1.14494e-10 4.10147e-10 3.98362e-10 ] [ 2.663600000000001e-10 -8.6404e-12 2.79747e-10 ] [ 4.00012e-10 1.38046e-10 4.02333e-10 ] [ 2.71061e-10 2.85329e-10 -6.99576e-13 ] [ 4.09739e-10 4.08725e-10 1.448e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.646307 2.4336195 -1.2665085 ] [ 3.4369393 -1.6548844 -1.9714543 ] [ 2.5106164 -1.9529111 1.24182 ] [ 0.9259562 -0.465466 1.6670421 ] [ -1.516238 1.1016971 -2.1412023 ] [ -1.4416023 -1.6055028 3.9759253 ] [ -2.399681 -1.1142336 -0.6844034 ] [ -3.1622977 3.2576814 -0.8212189 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.637674607790638e-09 3.899088298946762e-09 -2.029170325462389e-09 ] [ 5.506583838936316e-09 -2.651417117651109e-09 -3.158618014458826e-09 ] [ 4.022450933017197e-09 -3.128908532699237e-09 1.98961498763388e-09 ] [ 1.483545387747431e-09 -7.45758749121444e-10 2.670895900514291e-09 ] [ -2.429281095182892e-09 1.765113351365561e-09 -3.430584293727058e-09 ] [ -2.309701520580658e-09 -2.572299071981575e-09 6.37013461418944e-09 ] [ -3.844712827253754e-09 -1.785199038737702e-09 -1.096535135710155e-09 ] [ -5.066559484691941e-09 5.219381020096407e-09 -1.315737732979182e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -326.50045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.231113919804853e-17 } }