{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.5417e-10 0.0 0.0 ] "source-value" [ 5.5417 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -8.77832e-12 5.55439e-10 0.0 ] "source-value" [ -0.0877832 5.55439 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 3.08884e-12 4.074500000000001e-12 5.63916e-10 ] "source-value" [ 0.0308884 0.040745 5.63916 ] } "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" [ [ 2.888835958795208e-09 1.316199789876532e-09 -2.185523200379783e-09 ] [ -9.881177573584397e-10 -2.53408265228832e-10 -7.905796339441728e-10 ] [ -1.302212307323961e-09 -5.133002188067175e-10 -2.356344387771561e-09 ] [ -6.651612480679489e-10 3.032879167235245e-09 3.013189858524573e-09 ] [ 1.056410696037702e-09 -1.507644835601896e-09 1.189540998860485e-09 ] [ 8.320987593309082e-10 -1.820264101334986e-09 -1.26335631991632e-09 ] [ -1.19699464493577e-09 2.204824141477574e-10 -6.982793603435194e-10 ] [ -6.248594564776973e-10 -4.749441105047655e-10 3.0913520449703e-09 ] ] "source-value" [ [ 1.8030696 0.8215073 -1.3640963 ] [ -0.6167346 -0.158165 -0.493441 ] [ -0.812777 -0.3203768 -1.4707145 ] [ -0.415161 1.8929743 1.8806852 ] [ 0.6593597 -0.9409979 0.7424531 ] [ 0.5193552 -1.1361195 -0.788525 ] [ -0.7471053 0.1376143 -0.4358317 ] [ -0.3900066 -0.2964368 1.9294702 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.59411e-11 -8.747230000000001e-12 -7.74134e-13 ] [ 1.28203e-10 1.40365e-10 1.4018e-10 ] [ -7.44566e-12 2.77196e-10 2.86869e-10 ] [ 1.41795e-10 4.01233e-10 4.00515e-10 ] [ 2.72183e-10 1.05785e-11 2.67146e-10 ] [ 4.038e-10 1.47487e-10 4.29534e-10 ] [ 2.69485e-10 2.74872e-10 1.00738e-12 ] [ 4.0446e-10 4.150070000000001e-10 1.27967e-10 ] ] "source-value" [ [ -0.159411 -0.0874723 -0.00774134 ] [ 1.28203 1.40365 1.4018 ] [ -0.0744566 2.77196 2.86869 ] [ 1.41795 4.01233 4.00515 ] [ 2.72183 0.105785 2.67146 ] [ 4.038 1.47487 4.29534 ] [ 2.69485 2.74872 0.0100738 ] [ 4.0446 4.15007 1.27967 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -4.135504167246937e-18 "source-value" -25.811787 } }