{ "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" [ [ 0.2259556 -1.1722306 1.0197155 ] [ 0.6845198 0.7376471 3.5861121 ] [ 0.0223418 0.6533794 -3.7391363 ] [ 2.3620128 1.4175167 -2.7200698 ] [ -4.0770157 1.8285098 1.4171705 ] [ -1.7821918 0.2336793 -0.7263184 ] [ 0.01962 0.9095111 1.2701775 ] [ 2.5447575 -4.6080129 -0.1076512 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.620207826414504e-10 -1.8781204769798e-09 1.633764347427627e-09 ] [ 1.096721629070353e-09 1.181840947757861e-09 5.745585013524671e-09 ] [ 3.579550992150119e-11 1.046829207816939e-09 -5.990756811201214e-09 ] [ 3.784361717368915e-09 2.271112135044787e-09 -4.358032276409053e-09 ] [ -6.532099290991152e-09 2.929595676600013e-09 2.270557461494097e-09 ] [ -2.855386059266401e-09 3.743955143094762e-10 -1.163690369324266e-09 ] [ 3.143470555907999e-11 1.457197432783637e-09 2.035048711532535e-09 ] [ 4.077151005696254e-09 -7.382850597550579e-09 -1.724762372620608e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -328.45865 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.26248774265184e-17 } }