{ "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" [ [ 0.8707171 1.0509812 0.4666303 ] [ -0.184204 -0.8338152 -1.0158556 ] [ 0.7888519 1.4815922 1.6771768 ] [ -0.0174763 -2.8738517 0.6565091 ] [ 0.7464629 0.7860594 0.2724081 ] [ 0.1152187 -0.5653686 -1.3790376 ] [ -1.4476526 2.5117712 -0.1186059 ] [ -0.8719177 -1.5573686 -0.5592253 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.395042592444241e-09 1.683857521413281e-09 7.476241633764101e-10 ] [ -2.951273446893359e-10 -1.335919230514037e-09 -1.62758010583805e-09 ] [ 1.263880081866504e-09 2.373772403956654e-09 2.687133480046891e-09 ] [ -2.80001195087742e-11 -4.604418043321177e-09 1.051843540028369e-09 ] [ 1.195965416527878e-09 1.259406003616059e-09 4.364458927323353e-10 ] [ 1.846007089398558e-10 -9.058203605172923e-10 -2.209461820127438e-09 ] [ -2.319395169869348e-09 4.024301126594141e-09 -1.900276016345406e-10 ] [ -1.396966165711022e-09 -2.495179581445292e-09 -8.959777088016402e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -0.3982606015624768 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.380838300661841e-20 } }