{ "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" [ 5.4726 0 0 ] "si-unit" "m" "si-value" [ 5.4726e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ 0.038105 5.56078 0 ] "si-unit" "m" "si-value" [ 3.8105e-12 5.560780000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0300683 -0.0732695 5.55519 ] "si-unit" "m" "si-value" [ -3.00683e-12 -7.32695e-12 5.55519e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0119551 0.065874 -0.0174062 ] [ 1.35048 1.36142 1.35358 ] [ 0.0629681 2.82177 2.8468 ] [ 1.33242 4.00392 4.21267 ] [ 2.75302 -0.0155517 2.72 ] [ 4.0777 1.32793 4.00537 ] [ 2.56601 2.8685 0.00815077 ] [ 4.04738 3.99965 1.27482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.19551e-12 6.587400000000001e-12 -1.74062e-12 ] [ 1.35048e-10 1.36142e-10 1.35358e-10 ] [ 6.296810000000001e-12 2.82177e-10 2.8468e-10 ] [ 1.33242e-10 4.00392e-10 4.21267e-10 ] [ 2.75302e-10 -1.55517e-12 2.72e-10 ] [ 4.0777e-10 1.32793e-10 4.00537e-10 ] [ 2.56601e-10 2.8685e-10 8.15077e-13 ] [ 4.047380000000001e-10 3.99965e-10 1.27482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.7936143 -2.0417078 -0.9379 ] [ 0.0782821 1.1257037 1.2122429 ] [ -2.2823107 -3.142567 -2.9652005 ] [ 0.4993285 5.3164777 -0.9124063 ] [ -1.3685853 -2.2668873 -0.5352256 ] [ 0.1943942 1.5739539 3.1882536 ] [ 2.7601619 -4.5740582 -0.9302743 ] [ 1.9123437 4.009085 1.8805101 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.873686898192557e-09 -3.271176503665003e-09 -1.50268145264832e-09 ] [ 1.254217504471277e-10 1.803576150088057e-09 1.942227233110792e-09 ] [ -3.656664844941683e-09 -5.034947376697594e-09 -4.750774917084471e-09 ] [ 8.000124487991328e-10 8.517936275944556e-09 -1.461836042530631e-09 ] [ -2.192715371230554e-09 -3.631953834048436e-09 -8.575259431736524e-10 ] [ 3.114538424591193e-10 2.521752140796981e-09 5.108145379101434e-09 ] [ 4.422266865802907e-09 -7.328449110218531e-09 -1.490463734391086e-09 ] [ 3.063912367074169e-09 6.423262257799968e-09 3.01290931739827e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -34.864507 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.585909801111796e-18 } }