{ "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" [ [ 1.0302795000000002 1.6864109000000005 1.9907740000000005 ] [ -1.0896990000000002 -0.7111216000000001 0.4378764000000001 ] [ 0.4971762000000001 -1.2891231000000003 0.29876110000000006 ] [ 0.6406973000000001 -0.7798892000000002 -0.4912775000000001 ] [ -1.0521057000000003 0.5400190000000001 0.22343600000000005 ] [ -0.4162516000000001 1.1860780000000002 -0.6925975000000001 ] [ 0.9169526000000002 0.3841653000000001 -0.7510313000000002 ] [ -0.5270494000000001 -1.0165393000000003 -1.0159412000000003 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.650689727789514e-09 2.701928117042287e-09 3.1895715600965e-09 ] [ -1.74589026150914e-09 -1.139342402065889e-09 7.015553308800693e-10 ] [ 7.965640840581852e-10 -2.065402892153221e-09 4.78668049624491e-10 ] [ 1.026510235069684e-09 -1.249520243054416e-09 -7.871133248250722e-10 ] [ -1.685659155150419e-09 8.652058165877954e-10 3.579839354450689e-10 ] [ -6.669085818905935e-10 1.900306442045223e-09 -1.109663522124528e-09 ] [ 1.469120018101774e-09 6.155006621826183e-10 -1.203284790349031e-09 ] [ -8.444262266866677e-10 -1.628675500584398e-09 -1.627717238747498e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.88599 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.506522150106259e-18 } }