{ "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" [ 5.43808 0 0 ] "si-unit" "m" "si-value" [ 5.438080000000001e-10 0.0 0.0 ] } "unrelaxed-periodic-cell-vector-2" { "source-unit" "angstrom" "source-value" [ -0.036104 5.43472 0 ] "si-unit" "m" "si-value" [ -3.6104e-12 5.434720000000001e-10 0.0 ] } "unrelaxed-periodic-cell-vector-3" { "source-unit" "angstrom" "source-value" [ 0.0778792 -0.0548884 5.50823 ] "si-unit" "m" "si-value" [ 7.78792e-12 -5.48884e-12 5.50823e-10 ] } "unrelaxed-configuration-positions" { "source-value" [ [ -0.0442028 -0.0162787 0.186746 ] [ 1.46625 1.46109 1.35616 ] [ 0.0256733 2.72542 2.65757 ] [ 1.37985 4.00669 4.1027 ] [ 2.74744 0.0130417 2.60748 ] [ 4.13581 1.33996 3.97093 ] [ 2.70334 2.70384 0.0742117 ] [ 4.06803 4.03744 1.33105 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -4.42028e-12 -1.62787e-12 1.86746e-11 ] [ 1.46625e-10 1.46109e-10 1.35616e-10 ] [ 2.56733e-12 2.72542e-10 2.65757e-10 ] [ 1.37985e-10 4.00669e-10 4.1027e-10 ] [ 2.74744e-10 1.30417e-12 2.60748e-10 ] [ 4.13581e-10 1.33996e-10 3.97093e-10 ] [ 2.70334e-10 2.70384e-10 7.42117e-12 ] [ 4.068030000000001e-10 4.03744e-10 1.33105e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.0320068 0.8391787 -2.1367331 ] [ -1.4232027 -1.3009389 0.8154846 ] [ 0.2106974 0.1020446 -0.1487684 ] [ 0.0252856 0.3011157 0.4372855 ] [ 0.2400234 -0.2569188 0.3915788 ] [ -0.2905879 -0.1576719 1.3600662 ] [ 0.6923751 0.7192123 -1.8183703 ] [ -0.4865976 -0.2460216 1.0994565 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.653457167466621e-09 1.344512493813337e-09 -3.423423817709509e-09 ] [ -2.280222092599436e-09 -2.084333890669269e-09 1.30655036074244e-09 ] [ 3.375744483433459e-10 1.634934723988877e-10 -2.383532523938227e-10 ] [ 4.051199716290048e-11 4.824405346958265e-10 7.006086047148384e-10 ] [ 3.845598799249267e-10 -4.116292948039911e-10 6.273783985609191e-10 ] [ -4.655731396673684e-10 -2.526182319371155e-10 2.179066268380297e-09 ] [ 1.109307198044062e-09 1.152305132451796e-09 -2.913350382617082e-09 ] [ -7.7961529845739e-10 -3.941700557318093e-10 1.761523499886595e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -36.871921 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.907532979018456e-18 } }