{ "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" [ [ -0.4087051 -1.4968815 0.9304099 ] [ 1.3189573 1.1565106 2.6895081 ] [ -0.4562118 0.0955616 -3.1850982 ] [ 1.7165041 0.9546034 -1.2416661 ] [ -4.3094099 1.3125896 1.9670824 ] [ -0.5572894 0.9107201 -1.1200484 ] [ 0.0239255 -0.0627295 0.9415159 ] [ 2.6722294 -2.8703743 -0.9817035 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.548177614166333e-10 -2.398268563166871e-09 1.490681001822277e-09 ] [ 2.113202567303728e-09 1.85293426029332e-09 4.309067034773735e-09 ] [ -7.309318861150811e-10 1.531065626276544e-10 -5.103089913035459e-09 ] [ 2.750142761185199e-09 1.529443262216955e-09 -1.989368412649907e-09 ] [ -6.904435848108277e-09 2.103000387151406e-09 3.151613458432641e-09 ] [ -8.928760550558796e-10 1.459134464334143e-09 -1.794515375429085e-09 ] [ 3.833287705676699e-11 -1.00503739162503e-10 1.50847477551948e-09 ] [ 4.281383505367839e-09 -4.598846634294105e-09 -1.572862409216019e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.645352 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.711015008510517e-18 } }