{ "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" [ [ -3.973112351492511e-09 -3.492020048423088e-09 -4.332345824484142e-09 ] [ 5.404950680934242e-09 3.685070795557819e-09 3.577734254588619e-09 ] [ -5.097499556326868e-10 9.559466916834241e-10 -4.830485607234202e-10 ] [ -2.168160892993159e-09 1.203912202713736e-09 -4.232085456778368e-11 ] [ -2.845492434890367e-09 -1.985940699597376e-09 -4.777138733379734e-09 ] [ 8.607782816050454e-09 -3.861680647080547e-09 -1.573112015375053e-09 ] [ -4.406533010733666e-09 3.936399595750514e-09 7.101058430917208e-09 ] [ -1.096851716776301e-10 -4.416878906044819e-10 5.291734632419693e-10 ] ] "source-value" [ [ -2.4798217 -2.1795475 -2.7040376 ] [ 3.3735049 2.3000403 2.2330461 ] [ -0.3181609 0.596655 -0.3014952 ] [ -1.3532596 0.7514229 -0.0264146 ] [ -1.7760167 -1.2395267 -2.9816555 ] [ 5.3725555 -2.4102715 -0.9818593 ] [ -2.7503416 2.4569074 4.4321321 ] [ -0.0684601 -0.2756799 0.3302841 ] ] } "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" -1.04523966374507e-17 "source-value" -65.238729 } }