{ "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" [ 5.47042 0 0 ] "si-unit" "m" "si-value" [ 5.47042e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.0146058 5.3888 0 ] "si-unit" "m" "si-value" [ 1.46058e-12 5.3888e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.134413 -0.103851 5.39218 ] "si-unit" "m" "si-value" [ 1.34413e-11 -1.03851e-11 5.39218e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0813222 0.0658783 -0.0148119 ] [ 1.29496 1.3028 1.25678 ] [ 0.00731236 2.63688 2.91411 ] [ 1.38293 3.97853 4.11798 ] [ 2.91023 -0.000259257 2.64672 ] [ 4.15592 1.24599 4.16086 ] [ 2.63613 2.74458 -0.00927687 ] [ 4.0418 4.10114 1.35651 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -8.13222e-12 6.58783e-12 -1.48119e-12 ] [ 1.29496e-10 1.3028e-10 1.25678e-10 ] [ 7.31236e-13 2.63688e-10 2.91411e-10 ] [ 1.38293e-10 3.97853e-10 4.11798e-10 ] [ 2.91023e-10 -2.59257e-14 2.64672e-10 ] [ 4.15592e-10 1.24599e-10 4.16086e-10 ] [ 2.63613e-10 2.74458e-10 -9.27687e-13 ] [ 4.0418e-10 4.10114e-10 1.35651e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.3911638 -1.2921238 0.8360763 ] [ 1.0951769 0.9712569 2.6182558 ] [ -0.5265877 0.2401126 -3.2294373 ] [ 1.7315702 1.1339359 -1.3389814 ] [ -4.0651629 0.9707562 1.7734698 ] [ -0.5223525 0.7087968 -0.9276284 ] [ 0.1520489 0.0103172 0.8838192 ] [ 2.5264708 -2.7430518 -0.615574 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.26713495263287e-10 -2.070210543539255e-09 1.339541901064967e-09 ] [ 1.75466682482022e-09 1.556125097970684e-09 4.194908230034001e-09 ] [ -8.436865017408441e-10 3.847027940795021e-10 -5.174128940399476e-09 ] [ 2.77428129171398e-09 1.816765588465807e-09 -2.145284694766053e-09 ] [ -6.513108958123528e-09 1.555322888136649e-09 2.841411851254852e-09 ] [ -8.36900963316432e-10 1.135617661857853e-09 -1.486224535270111e-09 ] [ 2.436091927983571e-10 1.652997663211776e-11 1.41603445925416e-09 ] [ 4.047852448893872e-09 -4.394853463603358e-09 -9.862582711723391e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.365999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.345822352743619e-18 } }