{ "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" [ [ -1.1436117 -0.1995155 0.0613779 ] [ -0.4721648 1.0536694 -2.2768131 ] [ -1.3562038 0.6997964 0.5039246 ] [ 2.4367421 0.663454 0.3855289 ] [ 0.6201524 -2.4619242 1.8011226 ] [ -0.1849446 0.6661429 1.230308 ] [ -0.3303884 -0.2679106 -1.3204519 ] [ 0.4304188 -0.1537122 -0.3849969 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.832267929013343e-09 -3.196590695872225e-10 9.833823641380032e-11 ] [ -7.564914037247078e-10 1.688164478732363e-09 -3.647856718751172e-09 ] [ -2.172878021400119e-09 1.121197431400005e-09 8.073762127659916e-10 ] [ 3.904091223539096e-09 1.062970487776243e-09 6.176853902227411e-10 ] [ 9.9359367661301e-10 -3.944437395421743e-09 2.88571652091451e-09 ] [ -2.963139142632077e-10 1.067278580491912e-09 1.971170713983206e-09 ] [ -5.293405702635188e-10 -4.292400997845005e-10 -2.115597163070939e-09 ] [ 6.896069385127911e-10 -2.462740931717338e-10 -6.168330322604754e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -36.045651 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.775149931371615e-18 } }