{ "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" [ 5.43593 0 0 ] "si-unit" "m" "si-value" [ 5.43593e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.00214695 5.43123 0 ] "si-unit" "m" "si-value" [ 2.14695e-13 5.43123e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0452237 0.0446124 5.47348 ] "si-unit" "m" "si-value" [ -4.52237e-12 4.461240000000001e-12 5.473480000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0488145 -0.0723712 0.108622 ] [ 1.36095 1.35641 1.2952 ] [ -0.00863748 2.68477 2.74572 ] [ 1.30162 4.04466 3.93872 ] [ 2.7765 -0.0432881 2.8136 ] [ 4.0674 1.36091 4.19847 ] [ 2.70508 2.80909 0.166723 ] [ 4.1715 4.08924 1.48814 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.88145e-12 -7.23712e-12 1.08622e-11 ] [ 1.36095e-10 1.35641e-10 1.2952e-10 ] [ -8.63748e-13 2.68477e-10 2.74572e-10 ] [ 1.30162e-10 4.044660000000001e-10 3.93872e-10 ] [ 2.7765e-10 -4.328810000000001e-12 2.8136e-10 ] [ 4.0674e-10 1.36091e-10 4.19847e-10 ] [ 2.70508e-10 2.80909e-10 1.66723e-11 ] [ 4.1715e-10 4.089240000000001e-10 1.48814e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.8274231 0.1299168 -2.3062336 ] [ 0.1306237 -0.8317785 2.2841929 ] [ -0.0063326 -1.6118498 -0.3675916 ] [ 0.3464271 0.832929 3.6563274 ] [ -0.6204043 1.4251644 -1.2380685 ] [ -0.760358 0.8862649 0.4912942 ] [ 0.6515556 -0.3549036 -2.5825592 ] [ -1.5689346 -0.4757432 0.0626383 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.927854567129861e-09 2.081496596091494e-10 -3.694993556023419e-09 ] [ 2.09282238262393e-10 -1.332656066384093e-09 3.659680461777352e-09 ] [ -1.014594366887808e-11 -2.582468065801156e-09 -5.889466675224653e-10 ] [ 5.550374004315436e-10 1.334499370586323e-09 5.85808227827045e-09 ] [ -9.939972649037896e-10 2.28336508247646e-09 -1.983604405648925e-09 ] [ -1.218227811038246e-09 1.41995290261565e-09 7.871400811746394e-10 ] [ 1.043907149471316e-09 -5.686182505577549e-10 -4.137715972071951e-09 ] [ -2.513710335684199e-09 -7.622246325445786e-10 1.003576198266566e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -33.666285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.393933473618974e-18 } }