{ "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" [ 5.51526 0 0 ] "si-unit" "m" "si-value" [ 5.51526e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0933018 5.35906 0 ] "si-unit" "m" "si-value" [ -9.33018e-12 5.35906e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.235006 -0.443739 5.60819 ] "si-unit" "m" "si-value" [ 2.35006e-11 -4.43739e-11 5.60819e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0139599 -0.0171452 -0.258284 ] [ 1.4668 1.50235 1.27166 ] [ -0.150248 2.65293 3.01531 ] [ 1.35939 3.8116 4.44507 ] [ 2.6266 -0.11212 2.88055 ] [ 3.83653 1.13315 3.7283 ] [ 2.72617 2.6833 0.230289 ] [ 3.93014 4.1583 1.51189 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.39599e-12 -1.71452e-12 -2.58284e-11 ] [ 1.4668e-10 1.50235e-10 1.27166e-10 ] [ -1.50248e-11 2.65293e-10 3.01531e-10 ] [ 1.35939e-10 3.8116e-10 4.44507e-10 ] [ 2.6266e-10 -1.1212e-11 2.88055e-10 ] [ 3.83653e-10 1.13315e-10 3.7283e-10 ] [ 2.72617e-10 2.6833e-10 2.30289e-11 ] [ 3.930140000000001e-10 4.1583e-10 1.51189e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 9.5749103 -8.9279678 -7.1614692 ] [ 4.55676 4.5983464 -3.5424412 ] [ 0.1771629 -0.3639088 2.0506945 ] [ -8.6466608 7.5958091 5.9980762 ] [ 6.4541004 4.1748277 4.1200848 ] [ -7.0274478 -4.5690473 -6.8674817 ] [ -2.865779 -3.5354632 4.7230936 ] [ -2.2230461 1.0274039 0.679443 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.534069755530593e-08 -1.430418139826438e-08 -1.147393861735067e-08 ] [ 7.300734398745839e-09 7.367363157118016e-09 -5.67561651795892e-09 ] [ 2.838462587916786e-10 -5.830461762669792e-10 3.285574811372313e-09 ] [ -1.385347789588374e-08 1.216982785634457e-08 9.60997753659151e-09 ] [ 1.034060885437005e-08 6.68881139191596e-09 6.601103596658562e-09 ] [ -1.12592126618147e-08 -7.320420823700787e-09 -1.10029187141626e-08 ] [ -4.591484152007885e-09 -5.664436529406868e-09 7.567230206114942e-09 ] [ -3.561712517724827e-09 1.646082522260472e-09 1.088587698734862e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 5.389378398437522 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 8.634736141760939e-19 } }