{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.47211e-10 0.0 0.0 ] "source-value" [ 5.47211 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.02197e-11 5.35978e-10 0.0 ] "source-value" [ 0.102197 5.35978 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 1.85088e-12 1.67086e-12 5.27242e-10 ] "source-value" [ 0.0185088 0.0167086 5.27242 ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-nonorthogonal-periodic-3d-cell-fixed-particles-fixed" "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -9.408508233445843e-09 -8.72783935764751e-09 -5.082721079176607e-10 ] [ -2.607701065837459e-09 7.780687333870981e-09 1.083844782337426e-08 ] [ 9.999779979680412e-09 -4.429198042082151e-09 1.639748623863733e-09 ] [ -2.107615439581438e-09 -6.980465640805171e-10 -2.554283375776352e-09 ] [ -2.143158766607914e-09 -9.701784741271337e-09 -5.86376696113871e-09 ] [ 8.966926406933658e-09 -6.753273791622489e-10 -4.594266454099285e-09 ] [ -3.874513280724845e-10 8.172359596250963e-09 7.535307735906638e-09 ] [ -2.312271392851271e-09 8.27914915412182e-09 -6.492915444430289e-09 ] ] "source-value" [ [ -5.872329 -5.4474889 -0.3172385 ] [ -1.627599 4.8563231 6.7648271 ] [ 6.2413718 -2.764488 1.0234506 ] [ -1.3154701 -0.4356864 -1.5942583 ] [ -1.3376545 -6.0553778 -3.6598755 ] [ 5.5967153 -0.4215062 -2.8675156 ] [ -0.2418281 5.1007857 4.7031692 ] [ -1.4432063 5.1674385 -4.0525591 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.78677e-12 8.79346e-14 1.14128e-11 ] [ 1.32251e-10 1.35955e-10 1.26618e-10 ] [ 2.15185e-12 2.57215e-10 2.76138e-10 ] [ 1.39174e-10 4.08684e-10 3.88021e-10 ] [ 2.74481e-10 1.55651e-11 2.83937e-10 ] [ 4.07982e-10 1.36064e-10 4.14567e-10 ] [ 2.72904e-10 2.76199e-10 -1.6614e-11 ] [ 4.049000000000001e-10 4.11184e-10 1.31405e-10 ] ] "source-value" [ [ 0.0278677 0.000879346 0.114128 ] [ 1.32251 1.35955 1.26618 ] [ 0.0215185 2.57215 2.76138 ] [ 1.39174 4.08684 3.88021 ] [ 2.74481 0.155651 2.83937 ] [ 4.07982 1.36064 4.14567 ] [ 2.72904 2.76199 -0.16614 ] [ 4.049 4.11184 1.31405 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.954564293357555e-18 "source-value" -18.44094 } }