{ "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" [ 5.40103 0 0 ] "si-unit" "m" "si-value" [ 5.401030000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.134454 5.44836 0 ] "si-unit" "m" "si-value" [ -1.34454e-11 5.44836e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ -0.122267 -0.177468 5.33534 ] "si-unit" "m" "si-value" [ -1.22267e-11 -1.77468e-11 5.335340000000001e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.12652 -0.101854 -0.0428595 ] [ 1.30252 1.39257 1.42794 ] [ -0.134723 2.79807 2.80389 ] [ 1.19895 4.08424 4.16214 ] [ 2.70678 0.0224968 2.81634 ] [ 3.95472 1.30925 4.22707 ] [ 2.581 2.82078 0.250931 ] [ 3.97059 4.21723 1.58759 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.2652e-11 -1.01854e-11 -4.28595e-12 ] [ 1.30252e-10 1.39257e-10 1.42794e-10 ] [ -1.34723e-11 2.79807e-10 2.80389e-10 ] [ 1.19895e-10 4.084240000000001e-10 4.16214e-10 ] [ 2.70678e-10 2.24968e-12 2.81634e-10 ] [ 3.95472e-10 1.30925e-10 4.227070000000001e-10 ] [ 2.581e-10 2.82078e-10 2.50931e-11 ] [ 3.97059e-10 4.21723e-10 1.58759e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7350279000000001 1.6949049000000005 2.2045327000000006 ] [ -1.5408695000000003 -1.0162143000000001 0.8010724000000002 ] [ 0.5739535000000001 -1.7252616000000005 0.6163266000000001 ] [ 1.4984171000000002 -1.1075979000000002 -0.6345526000000001 ] [ -1.5435822000000003 0.6030248000000001 0.4628136000000001 ] [ -0.6094815000000001 2.2058176000000005 -0.8384659000000002 ] [ 1.4979099000000002 0.7413276000000001 -1.3173850000000003 ] [ -0.6113753000000001 -1.3960010000000003 -1.2943418000000002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.17764451701572e-09 2.715537005259363e-09 3.532050751729101e-09 ] [ -2.468745088603786e-09 -1.628154793182638e-09 1.283459470848146e-09 ] [ 9.195748791263331e-10 -2.764173800284002e-09 9.874640692971533e-10 ] [ 2.400728845826936e-09 -1.774567460627177e-09 -1.016665340387854e-09 ] [ -2.47309131312303e-09 9.661522363225962e-10 7.415091297082831e-10 ] [ -9.764970101101155e-10 3.534109388469167e-09 -1.343370462318031e-09 ] [ 2.399916221844867e-09 1.187737749073774e-09 -2.110683447592609e-09 ] [ -9.795312121945863e-10 -2.236640164813422e-09 -2.07376417128419e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -35.959586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.7613607982847e-18 } }