{ "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" [ 5.45158 0 0 ] "si-unit" "m" "si-value" [ 5.45158e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.0257054 5.42445 0 ] "si-unit" "m" "si-value" [ -2.57054e-12 5.424450000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.0529382 0.0294769 5.34001 ] "si-unit" "m" "si-value" [ -5.29382e-12 2.94769e-12 5.34001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0143981 -0.000418648 -0.00412545 ] [ 1.32176 1.3194 1.55836 ] [ -0.0742391 2.6807 2.85755 ] [ 1.24493 4.07168 4.08922 ] [ 2.604 0.0471177 2.81384 ] [ 3.98318 1.33506 4.22092 ] [ 2.76065 2.8474 0.244257 ] [ 4.05568 4.10688 1.45974 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43981e-12 -4.18648e-14 -4.12545e-13 ] [ 1.32176e-10 1.3194e-10 1.55836e-10 ] [ -7.42391e-12 2.6807e-10 2.85755e-10 ] [ 1.24493e-10 4.07168e-10 4.08922e-10 ] [ 2.604e-10 4.71177e-12 2.81384e-10 ] [ 3.98318e-10 1.33506e-10 4.22092e-10 ] [ 2.76065e-10 2.8474e-10 2.44257e-11 ] [ 4.05568e-10 4.10688e-10 1.45974e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.2403976 -0.4589035 3.4983493 ] [ -0.5404856 2.0170357 -2.4845396 ] [ -0.7429982 -0.1204463 -0.8205643 ] [ 1.3396761 0.2363216 0.9986278 ] [ 1.9420194 -1.6322468 0.5289369 ] [ -0.3931178 1.9565577 -1.2864304 ] [ -2.4013594 -3.3494214 -1.7858586 ] [ 1.0366632 1.351103 1.3514787 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.851594144164301e-10 -7.352444589032929e-10 5.604973459852046e-09 ] [ -8.659533921990605e-10 3.231647441858963e-09 -3.980671260571784e-09 ] [ -1.190414345336483e-09 -1.929762459218631e-10 -1.314688937323117e-09 ] [ 2.146397726864523e-09 3.786289425100493e-10 1.599978114040938e-09 ] [ 3.111458079820044e-09 -2.615147662335613e-09 8.474503350584275e-10 ] [ -6.298441483803304e-10 3.13475100418622e-09 -2.061088711166392e-09 ] [ -3.847401888818315e-09 -5.366364660287206e-09 -2.861260896974619e-09 ] [ 1.660917542683715e-09 2.164705638892742e-09 2.165307576649177e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.964957 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.762221327347731e-18 } }