{ "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" [ 5.42631 0 0 ] "si-unit" "m" "si-value" [ 5.42631e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0419811 5.40206 0 ] "si-unit" "m" "si-value" [ -4.19811e-12 5.40206e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.291495 -0.184222 5.7849 ] "si-unit" "m" "si-value" [ -2.91495e-11 -1.84222e-11 5.7849e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.101951 0.0451697 -0.178669 ] [ 1.35762 1.34832 0.905447 ] [ 0.453616 2.71025 3.0057 ] [ 1.36179 4.05856 4.06079 ] [ 2.63302 -0.145655 3.08939 ] [ 4.07266 1.35506 3.53695 ] [ 2.85903 2.69843 0.171649 ] [ 4.20927 3.69056 1.74197 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.01951e-11 4.51697e-12 -1.78669e-11 ] [ 1.35762e-10 1.34832e-10 9.05447e-11 ] [ 4.53616e-11 2.71025e-10 3.0057e-10 ] [ 1.36179e-10 4.05856e-10 4.06079e-10 ] [ 2.63302e-10 -1.45655e-11 3.08939e-10 ] [ 4.07266e-10 1.35506e-10 3.53695e-10 ] [ 2.85903e-10 2.69843e-10 1.71649e-11 ] [ 4.20927e-10 3.69056e-10 1.74197e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5747143 -2.7331131 -3.6731808 ] [ 1.8883037 0.2452542 8.5358407 ] [ -2.089824 -8.6026352 -9.2701283 ] [ -0.7181839 0.5042594 14.4898079 ] [ 3.7942318 2.4701451 -12.3493201 ] [ -0.488248 -1.7072012 13.1116551 ] [ 2.1056687 1.0957984 -7.084699 ] [ -1.917234 8.7274923 -3.7599756 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.125147056699438e-09 -4.378929910822213e-09 -5.88508440173144e-09 ] [ 3.025396041110137e-09 3.929405453930074e-10 1.367592440841311e-08 ] [ -3.348267154386739e-09 -1.378294099471113e-08 -1.485238283407645e-08 ] [ -1.150657454014965e-09 8.079126214986356e-10 2.321523145726314e-08 ] [ 6.079029483855902e-09 3.957608729203678e-09 -1.978579194699552e-08 ] [ -7.822595307523584e-10 -2.735237849641705e-09 2.100718726121309e-08 ] [ 3.373653162290329e-09 1.755662577590047e-09 -1.135093910320514e-08 ] [ -3.071747491402868e-09 1.398298412127202e-08 -6.024145001098453e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -20.710485 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.318185487242909e-18 } }