{ "unrelaxed-periodic-cell-vector-1" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ 5.366440000000001e-10 0.0 0.0 ] "source-value" [ 5.36644 0 0 ] } "unrelaxed-periodic-cell-vector-2" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -2.27231e-11 5.379480000000001e-10 0.0 ] "source-value" [ -0.227231 5.37948 0 ] } "unrelaxed-periodic-cell-vector-3" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ -3.50261e-12 -8.992650000000001e-12 5.399390000000001e-10 ] "source-value" [ -0.0350261 -0.0899265 5.39939 ] } "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" [ [ -3.221530177151597e-10 3.938467525114981e-09 -1.134359792992863e-09 ] [ -2.047748187533301e-09 1.541481043438909e-09 -4.031061958343213e-10 ] [ 2.515775541348411e-09 2.44729322539257e-09 -2.415018498890189e-09 ] [ 1.173479018019302e-10 1.717094020668177e-09 -5.465802790951184e-09 ] [ -4.631229309611789e-10 -2.755423672887164e-09 3.540967825929825e-09 ] [ -2.165334653434068e-09 -1.909799498741125e-09 4.674953190246407e-09 ] [ 5.329499056895583e-09 -1.907052566924763e-09 1.563652604388188e-09 ] [ -2.964263550184554e-09 -3.072060236279247e-09 -3.612865021135238e-10 ] ] "source-value" [ [ -0.2010721 2.4581981 -0.7080117 ] [ -1.2781039 0.9621168 -0.2515991 ] [ 1.5702236 1.5274803 -1.507336 ] [ 0.0732428 1.0717258 -3.4114858 ] [ -0.2890586 -1.7198002 2.2100983 ] [ -1.3514956 -1.1920031 2.9178763 ] [ 3.3264117 -1.1902886 0.9759552 ] [ -1.8501478 -1.9174292 -0.2254973 ] ] } "instance-id" 1 "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ -1.04229e-13 7.7963e-13 2.24549e-13 ] [ 1.32493e-10 1.37357e-10 1.36608e-10 ] [ -9.58533e-12 2.66355e-10 2.80902e-10 ] [ 1.19786e-10 4.07015e-10 4.22336e-10 ] [ 2.70129e-10 1.13781e-11 2.60003e-10 ] [ 3.9906e-10 1.45175e-10 3.98519e-10 ] [ 2.48193e-10 2.86985e-10 1.62227e-13 ] [ 4.00824e-10 4.16333e-10 1.43322e-10 ] ] "source-value" [ [ -0.00104229 0.0077963 0.00224549 ] [ 1.32493 1.37357 1.36608 ] [ -0.0958533 2.66355 2.80902 ] [ 1.19786 4.07015 4.22336 ] [ 2.70129 0.113781 2.60003 ] [ 3.9906 1.45175 3.98519 ] [ 2.48193 2.86985 0.00162227 ] [ 4.00824 4.16333 1.43322 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -5.738477710698123e-18 "source-value" -35.816761 } }